6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one

C25H18N4O2 — CID 135474641

IUPAC6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2ccc(N3C(=O)/C(=C\c4ccccc4)N=C3c3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C25H18N4O2/c1-16-26-21-13-12-19(15-20(21)24(30)27-16)29-23(18-10-6-3-7-11-18)28-22(25(29)31)14-17-8-4-2-5-9-17/h2-15H,1H3,(H,26,27,30)/b22-14+
InChIKeyYQKQREBYVJLEDB-HYARGMPZSA-N
MW406.45 g/mol
LogP4.07
Rot. Bonds3

About 6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one

6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one (PubChem CID 135474641) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
PubChem CID135474641
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC Name6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2ccc(N3C(=O)/C(=C\c4ccccc4)N=C3c3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C25H18N4O2/c1-16-26-21-13-12-19(15-20(21)24(30)27-16)29-23(18-10-6-3-7-11-18)28-22(25(29)31)14-17-8-4-2-5-9-17/h2-15H,1H3,(H,26,27,30)/b22-14+
InChIKeyYQKQREBYVJLEDB-HYARGMPZSA-N
XLogP4.07
TPSA78.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
CID 135434090
5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
CID 1275115
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonate
CID 7832187
(5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one
CID 46496778
5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
CID 1003359
4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide
CID 164620800
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one
CID 3070689
(5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 2270690
2-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137205917

Frequently Asked Questions

What is the IUPAC name of 6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one (CID 135474641) is 6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one is Cc1nc2ccc(N3C(=O)/C(=C\c4ccccc4)N=C3c3ccccc3)cc2c(=O)[nH]1.
What is the InChIKey of 6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one?
The InChIKey is YQKQREBYVJLEDB-HYARGMPZSA-N. The full InChI is InChI=1S/C25H18N4O2/c1-16-26-21-13-12-19(15-20(21)24(30)27-16)29-23(18-10-6-3-7-11-18)28-22(25(29)31)14-17-8-4-2-5-9-17/h2-15H,1H3,(H,26,27,30)/b22-14+.
What are the key properties of 6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one?
6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one has a molecular weight of 406.45 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135474641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).