3-(4-methyl-1H-benzimidazol-2-yl)phenol

C14H12N2O — CID 54941384

IUPAC3-(4-methyl-1H-benzimidazol-2-yl)phenol
SMILESCc1cccc2[nH]c(-c3cccc(O)c3)nc12
InChIInChI=1S/C14H12N2O/c1-9-4-2-7-12-13(9)16-14(15-12)10-5-3-6-11(17)8-10/h2-8,17H,1H3,(H,15,16)
InChIKeyLJJNNVZGJDRAHM-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.24
Rot. Bonds1

About 3-(4-methyl-1H-benzimidazol-2-yl)phenol

3-(4-methyl-1H-benzimidazol-2-yl)phenol (PubChem CID 54941384) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(4-methyl-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name3-(4-methyl-1H-benzimidazol-2-yl)phenol
PubChem CID54941384
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-(4-methyl-1H-benzimidazol-2-yl)phenol
SMILESCc1cccc2[nH]c(-c3cccc(O)c3)nc12
InChIInChI=1S/C14H12N2O/c1-9-4-2-7-12-13(9)16-14(15-12)10-5-3-6-11(17)8-10/h2-8,17H,1H3,(H,15,16)
InChIKeyLJJNNVZGJDRAHM-UHFFFAOYSA-N
XLogP3.24
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-methyl-1H-benzimidazol-2-yl)phenol 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 3-(4-methyl-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 3-(4-methyl-1H-benzimidazol-2-yl)phenol (CID 54941384) is 3-(4-methyl-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 3-(4-methyl-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 3-(4-methyl-1H-benzimidazol-2-yl)phenol is Cc1cccc2[nH]c(-c3cccc(O)c3)nc12.
What is the InChIKey of 3-(4-methyl-1H-benzimidazol-2-yl)phenol?
The InChIKey is LJJNNVZGJDRAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9-4-2-7-12-13(9)16-14(15-12)10-5-3-6-11(17)8-10/h2-8,17H,1H3,(H,15,16).
What are the key properties of 3-(4-methyl-1H-benzimidazol-2-yl)phenol?
3-(4-methyl-1H-benzimidazol-2-yl)phenol has a molecular weight of 224.26 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 54941384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).