3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline

C18H19N3 — CID 83971170

IUPAC3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline
SMILESCc1cn(Cc2ccccc2C)c(-c2cccc(N)c2)n1
InChIInChI=1S/C18H19N3/c1-13-6-3-4-7-16(13)12-21-11-14(2)20-18(21)15-8-5-9-17(19)10-15/h3-11H,12,19H2,1-2H3
InChIKeyXAJOKKROOVGNKJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.80
Rot. Bonds3

About 3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline

3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline (PubChem CID 83971170) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline.

Molecular Properties

Compound Name3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline
PubChem CID83971170
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline
SMILESCc1cn(Cc2ccccc2C)c(-c2cccc(N)c2)n1
InChIInChI=1S/C18H19N3/c1-13-6-3-4-7-16(13)12-21-11-14(2)20-18(21)15-8-5-9-17(19)10-15/h3-11H,12,19H2,1-2H3
InChIKeyXAJOKKROOVGNKJ-UHFFFAOYSA-N
XLogP3.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline?
The IUPAC name of 3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline (CID 83971170) is 3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline.
What is the SMILES notation for 3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline?
The canonical SMILES for 3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline is Cc1cn(Cc2ccccc2C)c(-c2cccc(N)c2)n1.
What is the InChIKey of 3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline?
The InChIKey is XAJOKKROOVGNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-6-3-4-7-16(13)12-21-11-14(2)20-18(21)15-8-5-9-17(19)10-15/h3-11H,12,19H2,1-2H3.
What are the key properties of 3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline?
3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline has a molecular weight of 277.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline is sourced from PubChem (CID 83971170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).