[4-(benzimidazol-1-yl)phenyl]methanamine

C14H13N3 — CID 19627293

IUPAC[4-(benzimidazol-1-yl)phenyl]methanamine
SMILESNCc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C14H13N3/c15-9-11-5-7-12(8-6-11)17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9,15H2
InChIKeyHTWPOADKXAJNEF-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.48
Rot. Bonds2

About [4-(benzimidazol-1-yl)phenyl]methanamine

[4-(benzimidazol-1-yl)phenyl]methanamine (PubChem CID 19627293) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(benzimidazol-1-yl)phenyl]methanamine
PubChem CID19627293
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name[4-(benzimidazol-1-yl)phenyl]methanamine
SMILESNCc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C14H13N3/c15-9-11-5-7-12(8-6-11)17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9,15H2
InChIKeyHTWPOADKXAJNEF-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(benzimidazol-1-yl)phenyl]methanamine 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 [4-(benzimidazol-1-yl)phenyl]methanamine?
The IUPAC name of [4-(benzimidazol-1-yl)phenyl]methanamine (CID 19627293) is [4-(benzimidazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(benzimidazol-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(benzimidazol-1-yl)phenyl]methanamine is NCc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of [4-(benzimidazol-1-yl)phenyl]methanamine?
The InChIKey is HTWPOADKXAJNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-9-11-5-7-12(8-6-11)17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9,15H2.
What are the key properties of [4-(benzimidazol-1-yl)phenyl]methanamine?
[4-(benzimidazol-1-yl)phenyl]methanamine has a molecular weight of 223.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 19627293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).