1-benzyl-3-methylbenzimidazol-2-one

C15H14N2O — CID 563547

IUPAC1-benzyl-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C15H14N2O/c1-16-13-9-5-6-10-14(13)17(15(16)18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyHPGDTHJKFZDCBT-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.39
Rot. Bonds2

About 1-benzyl-3-methylbenzimidazol-2-one

1-benzyl-3-methylbenzimidazol-2-one (PubChem CID 563547) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-benzyl-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-benzyl-3-methylbenzimidazol-2-one
PubChem CID563547
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-benzyl-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C15H14N2O/c1-16-13-9-5-6-10-14(13)17(15(16)18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyHPGDTHJKFZDCBT-UHFFFAOYSA-N
XLogP2.39
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-methylbenzimidazol-2-one 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 1-benzyl-3-methylbenzimidazol-2-one?
The IUPAC name of 1-benzyl-3-methylbenzimidazol-2-one (CID 563547) is 1-benzyl-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-benzyl-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-benzyl-3-methylbenzimidazol-2-one is Cn1c(=O)n(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-3-methylbenzimidazol-2-one?
The InChIKey is HPGDTHJKFZDCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-16-13-9-5-6-10-14(13)17(15(16)18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 1-benzyl-3-methylbenzimidazol-2-one?
1-benzyl-3-methylbenzimidazol-2-one has a molecular weight of 238.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylbenzimidazol-2-one is sourced from PubChem (CID 563547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).