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N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea
TL;DR: N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea (CAS 77523-94-5) is a chemical compound with molecular formula C13H18N4S and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-benzimidazol-2-ylmethyl)-3-butylthiourea
Also Known As: 1-(1H-benzimidazol-2-ylmethyl)-3-butylthiourea, N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea, 1-((1H-Benzo[d]imidazol-2-yl)methyl)-3-butylthiourea, 3-(1H-benzoimidazol-2-ylmethyl)-1-butyl-thiourea, N-[(1H-1,3-Benzimidazol-2-yl)methyl]-N'-butylthiourea
| Molecular Formula | C13H18N4S |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 2.3271 |
| Topological Polar Surface Area | 52.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.1252 |
| Heavy Atoms | 18 |
| Complexity | 487.44052 |
Chemical Identifiers
| CAS Number | 77523-94-5 |
|---|---|
| SMILES | CCCCNC(=S)NCC1=NC2=CC=CC=C2N1 |
Product Overview
N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea (CAS 77523-94-5), with molecular formula C13H18N4S and molecular weight 262.13 g/mol. IUPAC: 1-(1H-benzimidazol-2-ylmethyl)-3-butylthiourea.
Chemical Property Profile of N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea
Property Insights of N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea
The XLogP value of 2.3271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea. With a topological polar surface area (TPSA) of 52.74 Ų, N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea 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'-butylthiourea?
The CAS number of N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea is 77523-94-5.
What is the molecular formula of N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea?
The molecular formula of N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea is C13H18N4S.
What is the molecular weight of N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea?
The molecular weight of N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea is 262.13 g/mol.
Where can I buy N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea?
You can request a quote for N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea 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'-butylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-[(1H-Benzimidazol-2-yl)methyl]-N'-butylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.