1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one

C26H21ClN4O2 — CID 118058836

IUPAC1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one
SMILESO=c1nc(Cn2c(=O)n(C3CC3)c3ccccc32)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C26H21ClN4O2/c27-18-11-9-17(10-12-18)15-29-21-6-2-1-5-20(21)25(32)28-24(29)16-30-22-7-3-4-8-23(22)31(26(30)33)19-13-14-19/h1-12,19H,13-16H2
InChIKeyDRKADPMNFLGLGS-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.60
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one

1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one (PubChem CID 118058836) has the molecular formula C26H21ClN4O2 and a molecular weight of 456.93 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one
PubChem CID118058836
Molecular FormulaC26H21ClN4O2
Molecular Weight456.93 g/mol
Exact Mass456.14
IUPAC Name1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one
SMILESO=c1nc(Cn2c(=O)n(C3CC3)c3ccccc32)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C26H21ClN4O2/c27-18-11-9-17(10-12-18)15-29-21-6-2-1-5-20(21)25(32)28-24(29)16-30-22-7-3-4-8-23(22)31(26(30)33)19-13-14-19/h1-12,19H,13-16H2
InChIKeyDRKADPMNFLGLGS-UHFFFAOYSA-N
XLogP4.60
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-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-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one (CID 118058836) is 1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one is O=c1nc(Cn2c(=O)n(C3CC3)c3ccccc32)n(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one?
The InChIKey is DRKADPMNFLGLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O2/c27-18-11-9-17(10-12-18)15-29-21-6-2-1-5-20(21)25(32)28-24(29)16-30-22-7-3-4-8-23(22)31(26(30)33)19-13-14-19/h1-12,19H,13-16H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one?
1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one has a molecular weight of 456.93 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 118058836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).