(5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one

C23H16Br2N2O — CID 6066849

IUPAC(5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one
SMILESCc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H16Br2N2O/c1-15-2-6-17(7-3-15)22-26-21(14-16-4-8-18(24)9-5-16)23(28)27(22)20-12-10-19(25)11-13-20/h2-14H,1H3/b21-14-
InChIKeyFXAHVXJSIRISMU-STZFKDTASA-N
MW496.20 g/mol
LogP6.35
Rot. Bonds3

About (5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one

(5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one (PubChem CID 6066849) has the molecular formula C23H16Br2N2O and a molecular weight of 496.20 g/mol. Its IUPAC name is (5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one
PubChem CID6066849
Molecular FormulaC23H16Br2N2O
Molecular Weight496.20 g/mol
Exact Mass493.96
IUPAC Name(5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one
SMILESCc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H16Br2N2O/c1-15-2-6-17(7-3-15)22-26-21(14-16-4-8-18(24)9-5-16)23(28)27(22)20-12-10-19(25)11-13-20/h2-14H,1H3/b21-14-
InChIKeyFXAHVXJSIRISMU-STZFKDTASA-N
XLogP6.35
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.20
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-butoxyphenyl)-3-(4-octoxyphenyl)imidazol-4-one
CID 46496790
(5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003616
(5Z)-3-(4-bromophenyl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
CID 45105651
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
(5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one
CID 6148052
4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide
CID 3842568
(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one
CID 1034537
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
methyl 4-[4-[(3,4-diethoxyphenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]benzoate
CID 3764375
5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
CID 1275115
5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
CID 1003359

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one?
The IUPAC name of (5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one (CID 6066849) is (5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one.
What is the SMILES notation for (5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one?
The canonical SMILES for (5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one is Cc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cc1.
What is the InChIKey of (5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one?
The InChIKey is FXAHVXJSIRISMU-STZFKDTASA-N. The full InChI is InChI=1S/C23H16Br2N2O/c1-15-2-6-17(7-3-15)22-26-21(14-16-4-8-18(24)9-5-16)23(28)27(22)20-12-10-19(25)11-13-20/h2-14H,1H3/b21-14-.
What are the key properties of (5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one?
(5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one has a molecular weight of 496.20 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one is sourced from PubChem (CID 6066849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).