(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone

C15H12N2O — CID 2269665

IUPAC(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone
SMILESCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C15H12N2O/c1-10-16-13-8-7-12(9-14(13)17-10)15(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyVOXQKMQIUQMXIY-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.10
Rot. Bonds2

About (2-methyl-3H-benzimidazol-5-yl)-phenylmethanone

(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone (PubChem CID 2269665) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is (2-methyl-3H-benzimidazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone
PubChem CID2269665
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone
SMILESCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C15H12N2O/c1-10-16-13-8-7-12(9-14(13)17-10)15(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyVOXQKMQIUQMXIY-UHFFFAOYSA-N
XLogP3.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-methyl-3H-benzimidazol-5-yl)-phenylmethanone 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-methyl-3H-benzimidazol-5-yl)-phenylmethanone?
The IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-phenylmethanone (CID 2269665) is (2-methyl-3H-benzimidazol-5-yl)-phenylmethanone.
What is the SMILES notation for (2-methyl-3H-benzimidazol-5-yl)-phenylmethanone?
The canonical SMILES for (2-methyl-3H-benzimidazol-5-yl)-phenylmethanone is Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of (2-methyl-3H-benzimidazol-5-yl)-phenylmethanone?
The InChIKey is VOXQKMQIUQMXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-16-13-8-7-12(9-14(13)17-10)15(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17).
What are the key properties of (2-methyl-3H-benzimidazol-5-yl)-phenylmethanone?
(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone has a molecular weight of 236.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3H-benzimidazol-5-yl)-phenylmethanone is sourced from PubChem (CID 2269665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).