4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine

C19H16N6O — CID 6822468

IUPAC4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
SMILESCOc1ccc(C=NNc2nnc(-c3ncc[nH]3)c3ccccc23)cc1
InChIInChI=1S/C19H16N6O/c1-26-14-8-6-13(7-9-14)12-22-24-18-16-5-3-2-4-15(16)17(23-25-18)19-20-10-11-21-19/h2-12H,1H3,(H,20,21)(H,24,25)
InChIKeyVIDGFQHSTLVMLN-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.47
Rot. Bonds5

About 4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine

4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine (PubChem CID 6822468) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
PubChem CID6822468
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
SMILESCOc1ccc(C=NNc2nnc(-c3ncc[nH]3)c3ccccc23)cc1
InChIInChI=1S/C19H16N6O/c1-26-14-8-6-13(7-9-14)12-22-24-18-16-5-3-2-4-15(16)17(23-25-18)19-20-10-11-21-19/h2-12H,1H3,(H,20,21)(H,24,25)
InChIKeyVIDGFQHSTLVMLN-UHFFFAOYSA-N
XLogP3.47
TPSA88.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 5409694
1-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]phthalazine-1,4-diamine
CID 71482556
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
CID 5339750
N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6831939
N-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74253241
3-[(E)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 92856506
2-N-[(Z)-[4-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288005
N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-imidazol-2-amine
CID 59899220
2-[2-(4-methoxyphenyl)phenyl]-1H-imidazole
CID 11736810
4-N-[(E)-(4-nitrophenyl)methylideneamino]-1-N-[(Z)-(4-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 98511539
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 10522535
3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine
CID 53357332

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine?
The IUPAC name of 4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine (CID 6822468) is 4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for 4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine is COc1ccc(C=NNc2nnc(-c3ncc[nH]3)c3ccccc23)cc1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine?
The InChIKey is VIDGFQHSTLVMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-26-14-8-6-13(7-9-14)12-22-24-18-16-5-3-2-4-15(16)17(23-25-18)19-20-10-11-21-19/h2-12H,1H3,(H,20,21)(H,24,25).
What are the key properties of 4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine?
4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine has a molecular weight of 344.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6822468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).