![N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea structure](/static/products/7752/77523-96-7.webp)
N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea
TL;DR: N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea (CAS 77523-96-7) is a chemical compound with molecular formula C16H16N4S and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-benzimidazol-2-ylmethyl)-3-(3-methylphenyl)thiourea
Also Known As: 1-(1H-benzimidazol-2-ylmethyl)-3-(3-methylphenyl)thiourea, N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea, N-[(1H-1,3-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea
| Molecular Formula | C16H16N4S |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 3.35792 |
| Topological Polar Surface Area | 52.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.10956 |
| Heavy Atoms | 21 |
| Complexity | 745.55286 |
Chemical Identifiers
| CAS Number | 77523-96-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)NCC2=NC3=CC=CC=C3N2 |
Product Overview
N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea (CAS 77523-96-7), with molecular formula C16H16N4S and molecular weight 296.11 g/mol. IUPAC: 1-(1H-benzimidazol-2-ylmethyl)-3-(3-methylphenyl)thiourea.
Chemical Property Profile of N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea
Property Insights of N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea
The XLogP value of 3.35792 indicates that N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.74 Ų, N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea has 3 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 N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea?
The CAS number of N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea is 77523-96-7.
What is the molecular formula of N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea?
The molecular formula of N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea is C16H16N4S.
What is the molecular weight of N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea?
The molecular weight of N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea is 296.11 g/mol.
Where can I buy N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea?
You can request a quote for N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-[(1H-Benzimidazol-2-yl)methyl]-N'-(3-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.