1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione
TL;DR: 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione (CAS 721416-39-3) is a chemical compound with molecular formula C19H21N3S and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-3-(pyrrolidin-1-ylmethyl)benzimidazole-2-thione
Also Known As: 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione, 1-(3-methylphenyl)-3-(pyrrolidin-1-ylmethyl)benzimidazole-2-thione, 3-(3-methylphenyl)-1-(pyrrolidin-1-ylmethyl)benzoimidazole-2-thione, 1-(3-Methylphenyl)-3-[(pyrrolidin-1-yl)methyl]-1,3-dihydro-2H-benzimidazole-2-thione
| Molecular Formula | C19H21N3S |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 4.52321 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.14563 |
| Heavy Atoms | 23 |
| Complexity | 900.3639 |
Chemical Identifiers
| CAS Number | 721416-39-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3=CC=CC=C3N(C2=S)CN4CCCC4 |
Product Overview
1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione (CAS 721416-39-3), with molecular formula C19H21N3S and molecular weight 323.15 g/mol. IUPAC: 1-(3-methylphenyl)-3-(pyrrolidin-1-ylmethyl)benzimidazole-2-thione.
Chemical Property Profile of 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione
Property Insights of 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione
The XLogP value of 4.52321 indicates that 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione has 0 hydrogen bond donor(s) and 2 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 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione?
The CAS number of 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione is 721416-39-3.
What is the molecular formula of 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione?
The molecular formula of 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione is C19H21N3S.
What is the molecular weight of 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione?
The molecular weight of 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione is 323.15 g/mol.
Where can I buy 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione?
You can request a quote for 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-1-(3-methylphenyl)-3-(1-pyrrolidinylmethyl)-2H-benzimidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.