[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine

C15H15N3O — CID 81299090

IUPAC[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(-n2cnc3ccccc32)c1
InChIInChI=1S/C15H15N3O/c1-19-12-7-6-11(9-16)15(8-12)18-10-17-13-4-2-3-5-14(13)18/h2-8,10H,9,16H2,1H3
InChIKeyOMTJLLYFBPGMPV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.49
Rot. Bonds3

About [2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine

[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine (PubChem CID 81299090) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is [2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
PubChem CID81299090
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(-n2cnc3ccccc32)c1
InChIInChI=1S/C15H15N3O/c1-19-12-7-6-11(9-16)15(8-12)18-10-17-13-4-2-3-5-14(13)18/h2-8,10H,9,16H2,1H3
InChIKeyOMTJLLYFBPGMPV-UHFFFAOYSA-N
XLogP2.49
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(benzimidazol-1-yl)-4-methoxyphenyl]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 [2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine?
The IUPAC name of [2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine (CID 81299090) is [2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine is COc1ccc(CN)c(-n2cnc3ccccc32)c1.
What is the InChIKey of [2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine?
The InChIKey is OMTJLLYFBPGMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-19-12-7-6-11(9-16)15(8-12)18-10-17-13-4-2-3-5-14(13)18/h2-8,10H,9,16H2,1H3.
What are the key properties of [2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine?
[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 81299090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).