(5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one

C28H25N3O2 — CID 12791986

IUPAC(5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one
SMILESO=C(c1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C28H25N3O2/c32-27(30-18-8-3-9-19-30)23-14-16-24(17-15-23)31-26(22-12-6-2-7-13-22)29-25(28(31)33)20-21-10-4-1-5-11-21/h1-2,4-7,10-17,20H,3,8-9,18-19H2/b25-20-
InChIKeyUMPUYOBHOYAJMC-QQTULTPQSA-N
MW435.53 g/mol
LogP5.15
Rot. Bonds4

About (5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one

(5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one (PubChem CID 12791986) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one
PubChem CID12791986
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name(5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one
SMILESO=C(c1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C28H25N3O2/c32-27(30-18-8-3-9-19-30)23-14-16-24(17-15-23)31-26(22-12-6-2-7-13-22)29-25(28(31)33)20-21-10-4-1-5-11-21/h1-2,4-7,10-17,20H,3,8-9,18-19H2/b25-20-
InChIKeyUMPUYOBHOYAJMC-QQTULTPQSA-N
XLogP5.15
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonate
CID 7832187
4-[4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzoic acid
CID 3681343
(4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide
CID 11543853
4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide
CID 3842568
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
CID 135474641
5-[(4-hydroxyphenyl)methylidene]-3-[7-[4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one
CID 3381044
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one?
The IUPAC name of (5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one (CID 12791986) is (5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one?
The canonical SMILES for (5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one is O=C(c1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1)N1CCCCC1.
What is the InChIKey of (5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one?
The InChIKey is UMPUYOBHOYAJMC-QQTULTPQSA-N. The full InChI is InChI=1S/C28H25N3O2/c32-27(30-18-8-3-9-19-30)23-14-16-24(17-15-23)31-26(22-12-6-2-7-13-22)29-25(28(31)33)20-21-10-4-1-5-11-21/h1-2,4-7,10-17,20H,3,8-9,18-19H2/b25-20-.
What are the key properties of (5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one?
(5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one has a molecular weight of 435.53 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one is sourced from PubChem (CID 12791986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).