1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one

C17H16N2O2 — CID 658473

IUPAC1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one
SMILESCc1ccccc1C(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C17H16N2O2/c1-11-6-4-5-7-13(11)16(20)12-8-9-14-15(10-12)19(3)17(21)18(14)2/h4-10H,1-3H3
InChIKeyJWRUBGJGSDBCBV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.42
Rot. Bonds2

About 1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one

1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one (PubChem CID 658473) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one
PubChem CID658473
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one
SMILESCc1ccccc1C(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C17H16N2O2/c1-11-6-4-5-7-13(11)16(20)12-8-9-14-15(10-12)19(3)17(21)18(14)2/h4-10H,1-3H3
InChIKeyJWRUBGJGSDBCBV-UHFFFAOYSA-N
XLogP2.42
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-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 1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one (CID 658473) is 1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one is Cc1ccccc1C(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one?
The InChIKey is JWRUBGJGSDBCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-6-4-5-7-13(11)16(20)12-8-9-14-15(10-12)19(3)17(21)18(14)2/h4-10H,1-3H3.
What are the key properties of 1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one?
1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methylbenzoyl)benzimidazol-2-one is sourced from PubChem (CID 658473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).