1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea
TL;DR: 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea (CAS 77523-98-9) 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-benzylthiourea
Also Known As: 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea, N-[(1H-1,3-Benzimidazol-2-yl)methyl]-N'-benzylthiourea
| Molecular Formula | C16H16N4S |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 2.7272 |
| Topological Polar Surface Area | 52.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.10956 |
| Heavy Atoms | 21 |
| Complexity | 703.1315 |
Chemical Identifiers
| CAS Number | 77523-98-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NCC2=NC3=CC=CC=C3N2 |
Product Overview
1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea (CAS 77523-98-9), with molecular formula C16H16N4S and molecular weight 296.11 g/mol. IUPAC: 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea.
Chemical Property Profile of 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea
Property Insights of 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea
The XLogP value of 2.7272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea. With a topological polar surface area (TPSA) of 52.74 Ų, 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea 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 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea?
The CAS number of 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea is 77523-98-9.
What is the molecular formula of 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea?
The molecular formula of 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea is C16H16N4S.
What is the molecular weight of 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea?
The molecular weight of 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea is 296.11 g/mol.
Where can I buy 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea?
You can request a quote for 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-benzimidazol-2-ylmethyl)-3-benzylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.