(4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one

C16H13N3O — CID 135604653

IUPAC(4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one
SMILESO=C1NC(Nc2ccccc2)=N/C1=C\c1ccccc1
InChIInChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)/b14-11-
InChIKeyPBNKEANYJCQEQI-KAMYIIQDSA-N
MW263.30 g/mol
LogP2.63
Rot. Bonds2

About (4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one

(4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one (PubChem CID 135604653) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one
PubChem CID135604653
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one
SMILESO=C1NC(Nc2ccccc2)=N/C1=C\c1ccccc1
InChIInChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)/b14-11-
InChIKeyPBNKEANYJCQEQI-KAMYIIQDSA-N
XLogP2.63
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
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)-2-anilino-4-benzylidene-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one (CID 135604653) is (4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one is O=C1NC(Nc2ccccc2)=N/C1=C\c1ccccc1.
What is the InChIKey of (4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one?
The InChIKey is PBNKEANYJCQEQI-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)/b14-11-.
What are the key properties of (4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one?
(4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one has a molecular weight of 263.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one is sourced from PubChem (CID 135604653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).