6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one

C25H18ClN3O — CID 15484952

IUPAC6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one
SMILESO=c1cc(-c2ccccc2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2[nH]1
InChIInChI=1S/C25H18ClN3O/c26-20-9-6-18(7-10-20)25(29-13-12-27-16-29)19-8-11-23-22(14-19)21(15-24(30)28-23)17-4-2-1-3-5-17/h1-16,25H,(H,28,30)
InChIKeyRHBIJCCFGBZWIO-UHFFFAOYSA-N
MW411.89 g/mol
LogP5.68
Rot. Bonds4

About 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one

6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one (PubChem CID 15484952) has the molecular formula C25H18ClN3O and a molecular weight of 411.89 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one
PubChem CID15484952
Molecular FormulaC25H18ClN3O
Molecular Weight411.89 g/mol
Exact Mass411.11
IUPAC Name6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one
SMILESO=c1cc(-c2ccccc2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2[nH]1
InChIInChI=1S/C25H18ClN3O/c26-20-9-6-18(7-10-20)25(29-13-12-27-16-29)19-8-11-23-22(14-19)21(15-24(30)28-23)17-4-2-1-3-5-17/h1-16,25H,(H,28,30)
InChIKeyRHBIJCCFGBZWIO-UHFFFAOYSA-N
XLogP5.68
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-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 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one (CID 15484952) is 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one is O=c1cc(-c2ccccc2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2[nH]1.
What is the InChIKey of 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is RHBIJCCFGBZWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O/c26-20-9-6-18(7-10-20)25(29-13-12-27-16-29)19-8-11-23-22(14-19)21(15-24(30)28-23)17-4-2-1-3-5-17/h1-16,25H,(H,28,30).
What are the key properties of 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one?
6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 411.89 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 15484952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).