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

C22H16N6O — CID 135490259

IUPAC1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/Nc1nnc(-c2ncc[nH]2)c2ccccc12
InChIInChI=1S/C22H16N6O/c29-19-10-9-14-5-1-2-6-15(14)18(19)13-25-27-21-17-8-4-3-7-16(17)20(26-28-21)22-23-11-12-24-22/h1-13,29H,(H,23,24)(H,27,28)/b25-13+
InChIKeyQZBAXRCEGXLXOR-DHRITJCHSA-N
MW380.41 g/mol
LogP4.32
Rot. Bonds4

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

1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135490259) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID135490259
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC Name1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/Nc1nnc(-c2ncc[nH]2)c2ccccc12
InChIInChI=1S/C22H16N6O/c29-19-10-9-14-5-1-2-6-15(14)18(19)13-25-27-21-17-8-4-3-7-16(17)20(26-28-21)22-23-11-12-24-22/h1-13,29H,(H,23,24)(H,27,28)/b25-13+
InChIKeyQZBAXRCEGXLXOR-DHRITJCHSA-N
XLogP4.32
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_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 1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol (CID 135490259) is 1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/Nc1nnc(-c2ncc[nH]2)c2ccccc12.
What is the InChIKey of 1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is QZBAXRCEGXLXOR-DHRITJCHSA-N. The full InChI is InChI=1S/C22H16N6O/c29-19-10-9-14-5-1-2-6-15(14)18(19)13-25-27-21-17-8-4-3-7-16(17)20(26-28-21)22-23-11-12-24-22/h1-13,29H,(H,23,24)(H,27,28)/b25-13+.
What are the key properties of 1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol?
1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 380.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135490259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).