4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one

C30H20Cl2N4O — CID 57051970

IUPAC4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one
SMILESO=c1nc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)c3cnc(-c4ccccc4)[nH]3)ccc2[nH]1
InChIInChI=1S/C30H20Cl2N4O/c31-22-12-9-18(10-13-22)27(26-17-33-29(34-26)19-5-2-1-3-6-19)20-11-14-25-24(16-20)28(36-30(37)35-25)21-7-4-8-23(32)15-21/h1-17,27H,(H,33,34)(H,35,36,37)
InChIKeyJKWIKXGCMLPWKH-UHFFFAOYSA-N
MW523.42 g/mol
LogP7.47
Rot. Bonds5

About 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one (PubChem CID 57051970) has the molecular formula C30H20Cl2N4O and a molecular weight of 523.42 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one
PubChem CID57051970
Molecular FormulaC30H20Cl2N4O
Molecular Weight523.42 g/mol
Exact Mass522.10
IUPAC Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one
SMILESO=c1nc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)c3cnc(-c4ccccc4)[nH]3)ccc2[nH]1
InChIInChI=1S/C30H20Cl2N4O/c31-22-12-9-18(10-13-22)27(26-17-33-29(34-26)19-5-2-1-3-6-19)20-11-14-25-24(16-20)28(36-30(37)35-25)21-7-4-8-23(32)15-21/h1-17,27H,(H,33,34)(H,35,36,37)
InChIKeyJKWIKXGCMLPWKH-UHFFFAOYSA-N
XLogP7.47
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.42
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one
CID 68689459
4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
CID 135453967
2-chloro-4,6-diphenylquinazoline;4,6-diphenyl-1H-quinazolin-2-one
CID 161311284
4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one
CID 144815674
ethane;4-phenyl-1H-quinazolin-2-one
CID 159100188
6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one
CID 110170813
(2-phenyl-1H-imidazol-5-yl)methanediol
CID 70125752
3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 135498143
2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 15376894
4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one
CID 142651737
bis(9H-carbazole);1-chloro-3-phenylbenzene;1,3,5-triazine
CID 160708594
2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine
CID 14827778

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one (CID 57051970) is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one is O=c1nc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)c3cnc(-c4ccccc4)[nH]3)ccc2[nH]1.
What is the InChIKey of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one?
The InChIKey is JKWIKXGCMLPWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Cl2N4O/c31-22-12-9-18(10-13-22)27(26-17-33-29(34-26)19-5-2-1-3-6-19)20-11-14-25-24(16-20)28(36-30(37)35-25)21-7-4-8-23(32)15-21/h1-17,27H,(H,33,34)(H,35,36,37).
What are the key properties of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one?
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one has a molecular weight of 523.42 g/mol, XLogP of 7.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one is sourced from PubChem (CID 57051970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).