(4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide

C17H13N3O2 — CID 11543853

IUPAC(4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide
SMILESNC(=O)N1C(=O)/C(=C/c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C17H13N3O2/c18-17(22)20-15(13-9-5-2-6-10-13)19-14(16(20)21)11-12-7-3-1-4-8-12/h1-11H,(H2,18,22)/b14-11-
InChIKeyKTMYEKZUPSFKAV-KAMYIIQDSA-N
MW291.31 g/mol
LogP2.40
Rot. Bonds2

About (4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide

(4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide (PubChem CID 11543853) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is (4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide.

Molecular Properties

Compound Name(4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide
PubChem CID11543853
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name(4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide
SMILESNC(=O)N1C(=O)/C(=C/c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C17H13N3O2/c18-17(22)20-15(13-9-5-2-6-10-13)19-14(16(20)21)11-12-7-3-1-4-8-12/h1-11H,(H2,18,22)/b14-11-
InChIKeyKTMYEKZUPSFKAV-KAMYIIQDSA-N
XLogP2.40
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide?
The IUPAC name of (4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide (CID 11543853) is (4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide.
What is the SMILES notation for (4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide?
The canonical SMILES for (4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide is NC(=O)N1C(=O)/C(=C/c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of (4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide?
The InChIKey is KTMYEKZUPSFKAV-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H13N3O2/c18-17(22)20-15(13-9-5-2-6-10-13)19-14(16(20)21)11-12-7-3-1-4-8-12/h1-11H,(H2,18,22)/b14-11-.
What are the key properties of (4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide?
(4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide is sourced from PubChem (CID 11543853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).