4-imidazol-1-yl-2-methylaniline

C10H11N3 — CID 14450260

IUPAC4-imidazol-1-yl-2-methylaniline
SMILESCc1cc(-n2ccnc2)ccc1N
InChIInChI=1S/C10H11N3/c1-8-6-9(2-3-10(8)11)13-5-4-12-7-13/h2-7H,11H2,1H3
InChIKeyXEUDPJHDTZGULF-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.76
Rot. Bonds1

About 4-imidazol-1-yl-2-methylaniline

4-imidazol-1-yl-2-methylaniline (PubChem CID 14450260) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-methylaniline.

Molecular Properties

Compound Name4-imidazol-1-yl-2-methylaniline
PubChem CID14450260
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-imidazol-1-yl-2-methylaniline
SMILESCc1cc(-n2ccnc2)ccc1N
InChIInChI=1S/C10H11N3/c1-8-6-9(2-3-10(8)11)13-5-4-12-7-13/h2-7H,11H2,1H3
InChIKeyXEUDPJHDTZGULF-UHFFFAOYSA-N
XLogP1.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-imidazol-1-yl-2-methylaniline 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

4-imidazol-1-yl-2-methylbenzamide
CID 81276047
1-(3-fluoro-4-methylphenyl)imidazole
CID 18758587
4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine
CID 10753186
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine
CID 110455147
N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 176577918
1-(3,5-dibromo-4-methylphenyl)imidazole
CID 67554928
2-bromo-5-imidazol-1-ylphenol
CID 84701020
2-methyl-4-(triazol-1-yl)aniline
CID 82512131
(2-bromo-5-imidazol-1-ylphenyl)methanamine
CID 84707582
4-amino-5-(4-imidazol-1-yl-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328764
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-methylaniline?
The IUPAC name of 4-imidazol-1-yl-2-methylaniline (CID 14450260) is 4-imidazol-1-yl-2-methylaniline.
What is the SMILES notation for 4-imidazol-1-yl-2-methylaniline?
The canonical SMILES for 4-imidazol-1-yl-2-methylaniline is Cc1cc(-n2ccnc2)ccc1N.
What is the InChIKey of 4-imidazol-1-yl-2-methylaniline?
The InChIKey is XEUDPJHDTZGULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8-6-9(2-3-10(8)11)13-5-4-12-7-13/h2-7H,11H2,1H3.
What are the key properties of 4-imidazol-1-yl-2-methylaniline?
4-imidazol-1-yl-2-methylaniline has a molecular weight of 173.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-methylaniline is sourced from PubChem (CID 14450260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).