2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol

C23H17ClN4O — CID 135458790

IUPAC2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nc(N/N=C/c2ccccc2Cl)n1
InChIInChI=1S/C23H17ClN4O/c24-19-12-6-4-10-17(19)15-25-28-23-26-20(16-8-2-1-3-9-16)14-21(27-23)18-11-5-7-13-22(18)29/h1-15,29H,(H,26,27,28)/b25-15+
InChIKeyKSNZRKATRXXGLS-MFKUBSTISA-N
MW400.87 g/mol
LogP5.62
Rot. Bonds5

About 2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol

2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol (PubChem CID 135458790) has the molecular formula C23H17ClN4O and a molecular weight of 400.87 g/mol. Its IUPAC name is 2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
PubChem CID135458790
Molecular FormulaC23H17ClN4O
Molecular Weight400.87 g/mol
Exact Mass400.11
IUPAC Name2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nc(N/N=C/c2ccccc2Cl)n1
InChIInChI=1S/C23H17ClN4O/c24-19-12-6-4-10-17(19)15-25-28-23-26-20(16-8-2-1-3-9-16)14-21(27-23)18-11-5-7-13-22(18)29/h1-15,29H,(H,26,27,28)/b25-15+
InChIKeyKSNZRKATRXXGLS-MFKUBSTISA-N
XLogP5.62
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol 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

2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 3092883
2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 3092887
2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 2842336
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135443156
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745
N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 2841967
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol
CID 135421739
2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135822458
N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338887
4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]phenol
CID 4174590
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577753

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol (CID 135458790) is 2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol is Oc1ccccc1-c1cc(-c2ccccc2)nc(N/N=C/c2ccccc2Cl)n1.
What is the InChIKey of 2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol?
The InChIKey is KSNZRKATRXXGLS-MFKUBSTISA-N. The full InChI is InChI=1S/C23H17ClN4O/c24-19-12-6-4-10-17(19)15-25-28-23-26-20(16-8-2-1-3-9-16)14-21(27-23)18-11-5-7-13-22(18)29/h1-15,29H,(H,26,27,28)/b25-15+.
What are the key properties of 2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol?
2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol has a molecular weight of 400.87 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol is sourced from PubChem (CID 135458790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).