N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine

C14H12ClN3 — CID 923804

IUPACN-(3-chlorophenyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(Nc2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C14H12ClN3/c1-18-13-8-3-2-7-12(13)17-14(18)16-11-6-4-5-10(15)9-11/h2-9H,1H3,(H,16,17)
InChIKeyYNZWVGCMZYGYOV-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.97
Rot. Bonds2

About N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine

N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine (PubChem CID 923804) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-methylbenzimidazol-2-amine
PubChem CID923804
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC NameN-(3-chlorophenyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(Nc2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C14H12ClN3/c1-18-13-8-3-2-7-12(13)17-14(18)16-11-6-4-5-10(15)9-11/h2-9H,1H3,(H,16,17)
InChIKeyYNZWVGCMZYGYOV-UHFFFAOYSA-N
XLogP3.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine (CID 923804) is N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine is Cn1c(Nc2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine?
The InChIKey is YNZWVGCMZYGYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-18-13-8-3-2-7-12(13)17-14(18)16-11-6-4-5-10(15)9-11/h2-9H,1H3,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine?
N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine has a molecular weight of 257.72 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 923804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).