N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine (CAS 331840-16-5) is a chemical compound with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine
Also Known As: BAS 00619398, N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine, Benzo[1,3]dioxol-5-ylmethyl-(1H-benzoimidazol-2-yl)-amine, N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1H-1,3-BENZODIAZOL-2-AMINE, N-(2H-1,3-benzodioxol-5-ylmethyl)-1H-1,3-benzodiazol-2-amine
| Molecular Formula | C15H13N3O2 |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 2.9037 |
| Topological Polar Surface Area | 59.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.10077 |
| Heavy Atoms | 20 |
| Complexity | 733.65454 |
Chemical Identifiers
| CAS Number | 331840-16-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=NC4=CC=CC=C4N3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine (CAS 331840-16-5), with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine
The XLogP value of 2.9037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine. With a topological polar surface area (TPSA) of 59.17 Ų, N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine has 2 hydrogen bond donor(s) and 4 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-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine is 331840-16-5.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine is C15H13N3O2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine is 267.10 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.