![(4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/5164/516455-60-0.webp)
(4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one (CAS 516455-60-0) is a chemical compound with molecular formula C19H17N5O and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-5-methyl-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one
Also Known As: (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-[(4-methylanilino)methylidene]pyrazol-3-one, (4Z)-2-(1H-benzimidazol-2-yl)-5-methyl-4-[(4-methylanilino)methylidene]pyrazol-3-one, 1-benzimidazol-2-yl-3-methyl-4-{[(4-methylphenyl)amino]methylene}-1,2-diazolin -5-one, 2-(1H-benzimidazol-2-yl)-5-methyl-4-[(4-methylanilino)methylidene]pyrazol-3-one
| Molecular Formula | C19H17N5O |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 3.40934 |
| Topological Polar Surface Area | 78.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.1433 |
| Heavy Atoms | 25 |
| Complexity | 1095.7986 |
Chemical Identifiers
| CAS Number | 516455-60-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=CC2=C(NN(C2=O)C3=NC4=CC=CC=C4N3)C |
Product Overview
(4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one (CAS 516455-60-0), with molecular formula C19H17N5O and molecular weight 331.14 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-5-methyl-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 3.40934 indicates that (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one is 516455-60-0.
What is the molecular formula of (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one is C19H17N5O.
What is the molecular weight of (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one is 331.14 g/mol.
Where can I buy (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.