1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine

C18H16ClN3 — CID 1490694

IUPAC1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine
SMILESCc1ccc(C/N=C/c2nc(-c3ccccc3)[nH]c2Cl)cc1
InChIInChI=1S/C18H16ClN3/c1-13-7-9-14(10-8-13)11-20-12-16-17(19)22-18(21-16)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,22)/b20-12+
InChIKeyPXVWRQXRCVAZKZ-UDWIEESQSA-N
MW309.80 g/mol
LogP4.66
Rot. Bonds4

About 1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine

1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine (PubChem CID 1490694) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine.

Molecular Properties

Compound Name1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine
PubChem CID1490694
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC Name1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine
SMILESCc1ccc(C/N=C/c2nc(-c3ccccc3)[nH]c2Cl)cc1
InChIInChI=1S/C18H16ClN3/c1-13-7-9-14(10-8-13)11-20-12-16-17(19)22-18(21-16)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,22)/b20-12+
InChIKeyPXVWRQXRCVAZKZ-UDWIEESQSA-N
XLogP4.66
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine 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

2,4,5-Triphenylimidazole
CID 10232
4-Chloro-5-(4-methylphenyl)-1H-imidazole-2-carbonitrile
CID 10910992
4,5-Diphenyl-2-methylimidazole
CID 236696
2,4-Diphenylimidazole
CID 296732
2-(4-Chlorophenyl)-4,5-diphenylimidazole
CID 794727
2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821
2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499
2-heptan-4-yl-5-(4-phenylphenyl)-1H-imidazole
CID 9923013
2-(cyclohexylmethyl)-5-(4-phenylphenyl)-1H-imidazole
CID 9966703
5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole
CID 10109974
2-methyl-5-(4-phenylphenyl)-1H-imidazole
CID 44344607
2-cyclohexyl-4,5-diphenyl-1H-imidazole
CID 1521754

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine?
The IUPAC name of 1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine (CID 1490694) is 1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine.
What is the SMILES notation for 1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine?
The canonical SMILES for 1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine is Cc1ccc(C/N=C/c2nc(-c3ccccc3)[nH]c2Cl)cc1.
What is the InChIKey of 1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine?
The InChIKey is PXVWRQXRCVAZKZ-UDWIEESQSA-N. The full InChI is InChI=1S/C18H16ClN3/c1-13-7-9-14(10-8-13)11-20-12-16-17(19)22-18(21-16)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,22)/b20-12+.
What are the key properties of 1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine?
1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine has a molecular weight of 309.80 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-phenyl-1H-imidazol-4-yl)-N-[(4-methylphenyl)methyl]methanimine is sourced from PubChem (CID 1490694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).