2-methyl-N-phenylbenzimidazol-1-amine

C14H13N3 — CID 15532784

IUPAC2-methyl-N-phenylbenzimidazol-1-amine
SMILESCc1nc2ccccc2n1Nc1ccccc1
InChIInChI=1S/C14H13N3/c1-11-15-13-9-5-6-10-14(13)17(11)16-12-7-3-2-4-8-12/h2-10,16H,1H3
InChIKeyNKXYAFUXKGNXOE-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.22
Rot. Bonds2

About 2-methyl-N-phenylbenzimidazol-1-amine

2-methyl-N-phenylbenzimidazol-1-amine (PubChem CID 15532784) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-N-phenylbenzimidazol-1-amine.

Molecular Properties

Compound Name2-methyl-N-phenylbenzimidazol-1-amine
PubChem CID15532784
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-methyl-N-phenylbenzimidazol-1-amine
SMILESCc1nc2ccccc2n1Nc1ccccc1
InChIInChI=1S/C14H13N3/c1-11-15-13-9-5-6-10-14(13)17(11)16-12-7-3-2-4-8-12/h2-10,16H,1H3
InChIKeyNKXYAFUXKGNXOE-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-phenylbenzimidazol-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
1H-Benzimidazole-2-methanamine
CID 145820
2-tert-Butylbenzimidazole
CID 32366
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
1H-Benzimidazole-2-pentanamine
CID 162387
2-Propyl-1H-benzimidazole
CID 21624
1H-Benzimidazole-2-acetonitrile
CID 20455
N-(1H-Benzoimidazol-2-yl)-benzene-1,2-diamine
CID 672245
2-Amino-1-methylbenzimidazole
CID 74187

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylbenzimidazol-1-amine?
The IUPAC name of 2-methyl-N-phenylbenzimidazol-1-amine (CID 15532784) is 2-methyl-N-phenylbenzimidazol-1-amine.
What is the SMILES notation for 2-methyl-N-phenylbenzimidazol-1-amine?
The canonical SMILES for 2-methyl-N-phenylbenzimidazol-1-amine is Cc1nc2ccccc2n1Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylbenzimidazol-1-amine?
The InChIKey is NKXYAFUXKGNXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-11-15-13-9-5-6-10-14(13)17(11)16-12-7-3-2-4-8-12/h2-10,16H,1H3.
What are the key properties of 2-methyl-N-phenylbenzimidazol-1-amine?
2-methyl-N-phenylbenzimidazol-1-amine has a molecular weight of 223.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylbenzimidazol-1-amine is sourced from PubChem (CID 15532784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).