4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol

C18H14N6O — CID 135580223

IUPAC4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2nnc(-c3ncc[nH]3)c3ccccc23)cc1
InChIInChI=1S/C18H14N6O/c25-13-7-5-12(6-8-13)11-21-23-17-15-4-2-1-3-14(15)16(22-24-17)18-19-9-10-20-18/h1-11,25H,(H,19,20)(H,23,24)/b21-11+
InChIKeyGIKVGJXEZCJCBI-SRZZPIQSSA-N
MW330.35 g/mol
LogP3.17
Rot. Bonds4

About 4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol

4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol (PubChem CID 135580223) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol
PubChem CID135580223
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2nnc(-c3ncc[nH]3)c3ccccc23)cc1
InChIInChI=1S/C18H14N6O/c25-13-7-5-12(6-8-13)11-21-23-17-15-4-2-1-3-14(15)16(22-24-17)18-19-9-10-20-18/h1-11,25H,(H,19,20)(H,23,24)/b21-11+
InChIKeyGIKVGJXEZCJCBI-SRZZPIQSSA-N
XLogP3.17
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(6-Phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
CID 11381132
4-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135961524
4-[2-[(6-methyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-yl)amino]ethyl]phenol
CID 73167568
4-(1H-imidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 9614673
2-hydroxy-1-naphthaldehyde [4-(1H-imidazol-2-yl)-1-phthalazinyl]hydrazone
CID 135490259
4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 135987470
4,4'-(5-{[(1h-Imidazol-4-Yl)methyl]amino}-1h-Pyrazole-3,4-Diyl)diphenol
CID 135567150
4-[2-([1,2,4]Triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol
CID 90671747
c-Met-IN-23
CID 171038126
4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol
CID 171357865
2-[4-(1H-imidazol-5-ylmethylamino)quinazolin-2-yl]phenol
CID 178296844
2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol
CID 137288930

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol (CID 135580223) is 4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/Nc2nnc(-c3ncc[nH]3)c3ccccc23)cc1.
What is the InChIKey of 4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol?
The InChIKey is GIKVGJXEZCJCBI-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H14N6O/c25-13-7-5-12(6-8-13)11-21-23-17-15-4-2-1-3-14(15)16(22-24-17)18-19-9-10-20-18/h1-11,25H,(H,19,20)(H,23,24)/b21-11+.
What are the key properties of 4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol?
4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol has a molecular weight of 330.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135580223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).