(4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one

C13H16N4O6 — CID 135505209

IUPAC(4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one
SMILESO=C1NC(N/N=C/C(O)C(O)C(O)CO)=N/C1=C\c1ccco1
InChIInChI=1S/C13H16N4O6/c18-6-10(20)11(21)9(19)5-14-17-13-15-8(12(22)16-13)4-7-2-1-3-23-7/h1-5,9-11,18-21H,6H2,(H2,15,16,17,22)/b8-4-,14-5+
InChIKeyNSUPLEXBOCFUFS-NYQUBNGWSA-N
MW324.29 g/mol
LogP-2.24
Rot. Bonds6

About (4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one

(4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one (PubChem CID 135505209) has the molecular formula C13H16N4O6 and a molecular weight of 324.29 g/mol. Its IUPAC name is (4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one
PubChem CID135505209
Molecular FormulaC13H16N4O6
Molecular Weight324.29 g/mol
Exact Mass324.11
IUPAC Name(4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one
SMILESO=C1NC(N/N=C/C(O)C(O)C(O)CO)=N/C1=C\c1ccco1
InChIInChI=1S/C13H16N4O6/c18-6-10(20)11(21)9(19)5-14-17-13-15-8(12(22)16-13)4-7-2-1-3-23-7/h1-5,9-11,18-21H,6H2,(H2,15,16,17,22)/b8-4-,14-5+
InChIKeyNSUPLEXBOCFUFS-NYQUBNGWSA-N
XLogP-2.24
TPSA159.91 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.29
LogP ≤ 5-2.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one (CID 135505209) is (4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one is O=C1NC(N/N=C/C(O)C(O)C(O)CO)=N/C1=C\c1ccco1.
What is the InChIKey of (4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one?
The InChIKey is NSUPLEXBOCFUFS-NYQUBNGWSA-N. The full InChI is InChI=1S/C13H16N4O6/c18-6-10(20)11(21)9(19)5-14-17-13-15-8(12(22)16-13)4-7-2-1-3-23-7/h1-5,9-11,18-21H,6H2,(H2,15,16,17,22)/b8-4-,14-5+.
What are the key properties of (4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one?
(4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one has a molecular weight of 324.29 g/mol, XLogP of -2.24, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one is sourced from PubChem (CID 135505209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).