N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine

C13H15N3O — CID 118868224

IUPACN-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine
SMILESCOc1cc(C)ccc1/N=C/c1cn(C)cn1
InChIInChI=1S/C13H15N3O/c1-10-4-5-12(13(6-10)17-3)14-7-11-8-16(2)9-15-11/h4-9H,1-3H3/b14-7+
InChIKeyODJDPKWAJMIZDI-VGOFMYFVSA-N
MW229.28 g/mol
LogP2.49
Rot. Bonds3

About N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine

N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine (PubChem CID 118868224) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine
PubChem CID118868224
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine
SMILESCOc1cc(C)ccc1/N=C/c1cn(C)cn1
InChIInChI=1S/C13H15N3O/c1-10-4-5-12(13(6-10)17-3)14-7-11-8-16(2)9-15-11/h4-9H,1-3H3/b14-7+
InChIKeyODJDPKWAJMIZDI-VGOFMYFVSA-N
XLogP2.49
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)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

5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
1H-Imidazole, 1-(3-methoxy-2-naphthalenyl)-
CID 11413434
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
(3-Methoxy-benzyl)-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096451
1-Benzyl-4-(4-methoxyphenyl)-1h-imidazole
CID 6539910
1-((1,2-diphenyl-1H-imidazol-4-yl)methyl)-4-(2-methoxyphenyl)piperazine
CID 10025385
2-{(E)-2-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]vinyl}-4-phenyl-1H-imidazole
CID 24852225
2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole
CID 24852226
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine
CID 24852452
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
CID 25145553
(5Z)-3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methoxy-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazol-4-one
CID 25256439
5-Imidazol-1-ylmethyl-2-(2-methoxy-phenyl)pyridine
CID 44456188

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine (CID 118868224) is N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine is COc1cc(C)ccc1/N=C/c1cn(C)cn1.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine?
The InChIKey is ODJDPKWAJMIZDI-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-4-5-12(13(6-10)17-3)14-7-11-8-16(2)9-15-11/h4-9H,1-3H3/b14-7+.
What are the key properties of N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine?
N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine has a molecular weight of 229.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine is sourced from PubChem (CID 118868224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).