N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline

C18H19N3 — CID 60861436

IUPACN-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
SMILESCc1ccc(-c2nc(CNc3ccccc3)[nH]c2C)cc1
InChIInChI=1S/C18H19N3/c1-13-8-10-15(11-9-13)18-14(2)20-17(21-18)12-19-16-6-4-3-5-7-16/h3-11,19H,12H2,1-2H3,(H,20,21)
InChIKeyMCYZXJGONHICIM-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.31
Rot. Bonds4

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

N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline (PubChem CID 60861436) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
PubChem CID60861436
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
SMILESCc1ccc(-c2nc(CNc3ccccc3)[nH]c2C)cc1
InChIInChI=1S/C18H19N3/c1-13-8-10-15(11-9-13)18-14(2)20-17(21-18)12-19-16-6-4-3-5-7-16/h3-11,19H,12H2,1-2H3,(H,20,21)
InChIKeyMCYZXJGONHICIM-UHFFFAOYSA-N
XLogP4.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 63926373
(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine
CID 43649240
2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid
CID 68888401
3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60849760
3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
CID 82474293
5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
CID 139695615
4-[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105456043
2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole
CID 141255877
N-[[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline
CID 43839988
1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine
CID 60866946
5-(anilinomethyl)-1,2-dihydro-1,2,4-triazole-3-thione;ethane
CID 142424158
[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 43649221

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline?
The IUPAC name of N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline (CID 60861436) is N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline.
What is the SMILES notation for N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline?
The canonical SMILES for N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline is Cc1ccc(-c2nc(CNc3ccccc3)[nH]c2C)cc1.
What is the InChIKey of N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is MCYZXJGONHICIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-8-10-15(11-9-13)18-14(2)20-17(21-18)12-19-16-6-4-3-5-7-16/h3-11,19H,12H2,1-2H3,(H,20,21).
What are the key properties of N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline?
N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline has a molecular weight of 277.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 60861436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).