2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline

C12H15N3 — CID 102706436

IUPAC2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline
SMILESCc1cnc(-c2cc(N)c(C)cc2C)[nH]1
InChIInChI=1S/C12H15N3/c1-7-4-8(2)11(13)5-10(7)12-14-6-9(3)15-12/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyJJAINCAVQBYFFG-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.58
Rot. Bonds1

About 2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline

2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline (PubChem CID 102706436) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline.

Molecular Properties

Compound Name2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline
PubChem CID102706436
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline
SMILESCc1cnc(-c2cc(N)c(C)cc2C)[nH]1
InChIInChI=1S/C12H15N3/c1-7-4-8(2)11(13)5-10(7)12-14-6-9(3)15-12/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyJJAINCAVQBYFFG-UHFFFAOYSA-N
XLogP2.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)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

2-(2,5-dimethylphenyl)-5-methyl-1H-imidazole
CID 151776982
5-(5-methyl-1H-imidazol-2-yl)-1H-pyrazol-4-amine
CID 143500421
2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline
CID 82470505
2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine
CID 157368022
2,6-dimethyl-4-(5-methyl-1H-imidazol-2-yl)pyridine
CID 107504185
5-(5-methyl-1H-imidazol-2-yl)thiophen-2-amine
CID 145187874
5-bromo-3-(5-tert-butyl-1H-imidazol-2-yl)-2-methylaniline
CID 114011496
6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid
CID 116865013
ethane;5-methyl-2-phenyl-1H-imidazole
CID 145236732
[5-(5-methyl-1H-imidazol-2-yl)furan-2-yl]methanamine
CID 103386742
5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline
CID 107874077
5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole
CID 138713686

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline?
The IUPAC name of 2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline (CID 102706436) is 2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline.
What is the SMILES notation for 2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline?
The canonical SMILES for 2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline is Cc1cnc(-c2cc(N)c(C)cc2C)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline?
The InChIKey is JJAINCAVQBYFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-7-4-8(2)11(13)5-10(7)12-14-6-9(3)15-12/h4-6H,13H2,1-3H3,(H,14,15).
What are the key properties of 2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline?
2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline has a molecular weight of 201.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline is sourced from PubChem (CID 102706436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).