(4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one

C15H18N4O5 — CID 136843378

IUPAC(4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one
SMILESO=C1NC(N/N=C\[C@H](O)[C@H](O)[C@H](O)CO)=N/C1=C\c1ccccc1
InChIInChI=1S/C15H18N4O5/c20-8-12(22)13(23)11(21)7-16-19-15-17-10(14(24)18-15)6-9-4-2-1-3-5-9/h1-7,11-13,20-23H,8H2,(H2,17,18,19,24)/b10-6-,16-7-/t11-,12+,13-/m0/s1
InChIKeyIZFWHMMSFXMNEO-DJYZBBSYSA-N
MW334.33 g/mol
LogP-1.84
Rot. Bonds6

About (4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one

(4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one (PubChem CID 136843378) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one
PubChem CID136843378
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name(4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one
SMILESO=C1NC(N/N=C\[C@H](O)[C@H](O)[C@H](O)CO)=N/C1=C\c1ccccc1
InChIInChI=1S/C15H18N4O5/c20-8-12(22)13(23)11(21)7-16-19-15-17-10(14(24)18-15)6-9-4-2-1-3-5-9/h1-7,11-13,20-23H,8H2,(H2,17,18,19,24)/b10-6-,16-7-/t11-,12+,13-/m0/s1
InChIKeyIZFWHMMSFXMNEO-DJYZBBSYSA-N
XLogP-1.84
TPSA146.77 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.33
LogP ≤ 5-1.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

(4Z)-4-benzylidene-2-[(2E)-2-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-1H-imidazol-5-one
CID 135467767
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-[(2E)-2-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one
CID 135536814
2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 135426635
(4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one
CID 135505119
4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one
CID 135401845
2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 135489854
(4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one
CID 135611096
(2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol
CID 139229642
(2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 10572933
3-ethyl-2-[(2E)-2-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]quinazolin-4-one
CID 11728249
(4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one
CID 135519071
methyl 4-[(E)-(5-oxo-2-phenyl-1H-imidazol-4-ylidene)methyl]benzoate
CID 136698334

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one (CID 136843378) is (4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one is O=C1NC(N/N=C\[C@H](O)[C@H](O)[C@H](O)CO)=N/C1=C\c1ccccc1.
What is the InChIKey of (4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one?
The InChIKey is IZFWHMMSFXMNEO-DJYZBBSYSA-N. The full InChI is InChI=1S/C15H18N4O5/c20-8-12(22)13(23)11(21)7-16-19-15-17-10(14(24)18-15)6-9-4-2-1-3-5-9/h1-7,11-13,20-23H,8H2,(H2,17,18,19,24)/b10-6-,16-7-/t11-,12+,13-/m0/s1.
What are the key properties of (4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one?
(4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one has a molecular weight of 334.33 g/mol, XLogP of -1.84, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one is sourced from PubChem (CID 136843378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).