(4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one

C14H12N4O2 — CID 135505223

IUPAC(4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one
SMILESO=C1NC(NNc2ccccc2)=N/C1=C\c1ccco1
InChIInChI=1S/C14H12N4O2/c19-13-12(9-11-7-4-8-20-11)15-14(16-13)18-17-10-5-2-1-3-6-10/h1-9,17H,(H2,15,16,18,19)/b12-9-
InChIKeyGCTJNKUTZIFIJT-XFXZXTDPSA-N
MW268.28 g/mol
LogP1.72
Rot. Bonds3

About (4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one

(4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one (PubChem CID 135505223) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is (4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one
PubChem CID135505223
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name(4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one
SMILESO=C1NC(NNc2ccccc2)=N/C1=C\c1ccco1
InChIInChI=1S/C14H12N4O2/c19-13-12(9-11-7-4-8-20-11)15-14(16-13)18-17-10-5-2-1-3-6-10/h1-9,17H,(H2,15,16,18,19)/b12-9-
InChIKeyGCTJNKUTZIFIJT-XFXZXTDPSA-N
XLogP1.72
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one (CID 135505223) is (4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one is O=C1NC(NNc2ccccc2)=N/C1=C\c1ccco1.
What is the InChIKey of (4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one?
The InChIKey is GCTJNKUTZIFIJT-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-13-12(9-11-7-4-8-20-11)15-14(16-13)18-17-10-5-2-1-3-6-10/h1-9,17H,(H2,15,16,18,19)/b12-9-.
What are the key properties of (4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one?
(4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one has a molecular weight of 268.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one is sourced from PubChem (CID 135505223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).