4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile

C28H19ClN4O2 — CID 23646762

IUPAC4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile
SMILESCn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(=O)c3cncn3Cc3ccc(C#N)cc3)ccc21
InChIInChI=1S/C28H19ClN4O2/c1-32-25-10-9-21(12-24(25)23(13-27(32)34)20-3-2-4-22(29)11-20)28(35)26-15-31-17-33(26)16-19-7-5-18(14-30)6-8-19/h2-13,15,17H,16H2,1H3
InChIKeyFHBGLPFCGSFLLW-UHFFFAOYSA-N
MW478.94 g/mol
LogP5.21
Rot. Bonds5

About 4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile

4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 23646762) has the molecular formula C28H19ClN4O2 and a molecular weight of 478.94 g/mol. Its IUPAC name is 4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID23646762
Molecular FormulaC28H19ClN4O2
Molecular Weight478.94 g/mol
Exact Mass478.12
IUPAC Name4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile
SMILESCn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(=O)c3cncn3Cc3ccc(C#N)cc3)ccc21
InChIInChI=1S/C28H19ClN4O2/c1-32-25-10-9-21(12-24(25)23(13-27(32)34)20-3-2-4-22(29)11-20)28(35)26-15-31-17-33(26)16-19-7-5-18(14-30)6-8-19/h2-13,15,17H,16H2,1H3
InChIKeyFHBGLPFCGSFLLW-UHFFFAOYSA-N
XLogP5.21
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.94
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile 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 4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile (CID 23646762) is 4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile is Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(=O)c3cncn3Cc3ccc(C#N)cc3)ccc21.
What is the InChIKey of 4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is FHBGLPFCGSFLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN4O2/c1-32-25-10-9-21(12-24(25)23(13-27(32)34)20-3-2-4-22(29)11-20)28(35)26-15-31-17-33(26)16-19-7-5-18(14-30)6-8-19/h2-13,15,17H,16H2,1H3.
What are the key properties of 4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile?
4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 478.94 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(3-chlorophenyl)-1-methyl-2-oxoquinoline-6-carbonyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 23646762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).