6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one

C18H13ClN4O — CID 174347173

IUPAC6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one
SMILESO=c1ncc2cc(C(c3cccc(Cl)c3)n3ccnc3)ccc2[nH]1
InChIInChI=1S/C18H13ClN4O/c19-15-3-1-2-12(9-15)17(23-7-6-20-11-23)13-4-5-16-14(8-13)10-21-18(24)22-16/h1-11,17H,(H,21,22,24)
InChIKeyCYFZDHLWUCFEPZ-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.41
Rot. Bonds3

About 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one

6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one (PubChem CID 174347173) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one
PubChem CID174347173
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one
SMILESO=c1ncc2cc(C(c3cccc(Cl)c3)n3ccnc3)ccc2[nH]1
InChIInChI=1S/C18H13ClN4O/c19-15-3-1-2-12(9-15)17(23-7-6-20-11-23)13-4-5-16-14(8-13)10-21-18(24)22-16/h1-11,17H,(H,21,22,24)
InChIKeyCYFZDHLWUCFEPZ-UHFFFAOYSA-N
XLogP3.41
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one
CID 59596194
7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one
CID 19875903
6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1H-quinolin-2-one
CID 19967130
6-[imidazol-1-yl(phenyl)methyl]-3H-1,3-benzothiazol-2-one
CID 58828708
ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen
CID 143057224
6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one
CID 143057236
N-[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]-2-nitrophenyl]-3-oxobutanamide
CID 19875872
6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole
CID 14518485
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
CID 11604992
6-[imidazol-1-yl(phenyl)methyl]quinoline sulfate
CID 19967120
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one
CID 22626590
1-benzhydrylimidazole;hydrobromide
CID 174865219

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one?
The IUPAC name of 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one (CID 174347173) is 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one.
What is the SMILES notation for 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one?
The canonical SMILES for 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one is O=c1ncc2cc(C(c3cccc(Cl)c3)n3ccnc3)ccc2[nH]1.
What is the InChIKey of 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one?
The InChIKey is CYFZDHLWUCFEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-15-3-1-2-12(9-15)17(23-7-6-20-11-23)13-4-5-16-14(8-13)10-21-18(24)22-16/h1-11,17H,(H,21,22,24).
What are the key properties of 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one?
6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one has a molecular weight of 336.78 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one is sourced from PubChem (CID 174347173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).