5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline

C13H16BrN3 — CID 107874077

IUPAC5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline
SMILESCc1c(N)cc(Br)cc1-c1ncc(C(C)C)[nH]1
InChIInChI=1S/C13H16BrN3/c1-7(2)12-6-16-13(17-12)10-4-9(14)5-11(15)8(10)3/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyYOLUBRSOQWIOJN-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.85
Rot. Bonds2

About 5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline

5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline (PubChem CID 107874077) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline.

Molecular Properties

Compound Name5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline
PubChem CID107874077
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline
SMILESCc1c(N)cc(Br)cc1-c1ncc(C(C)C)[nH]1
InChIInChI=1S/C13H16BrN3/c1-7(2)12-6-16-13(17-12)10-4-9(14)5-11(15)8(10)3/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyYOLUBRSOQWIOJN-UHFFFAOYSA-N
XLogP3.85
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-methyl-3-(5-propan-2-yl-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

5-bromo-3-(5-tert-butyl-1H-imidazol-2-yl)-2-methylaniline
CID 114011496
4,5-difluoro-2-(5-propan-2-yl-1H-imidazol-2-yl)aniline
CID 64863020
ethane;5-propan-2-yl-1H-imidazol-2-amine
CID 163265952
5-bromo-3-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2-methylaniline
CID 107874058
1-[2-(4-bromophenyl)-1H-imidazol-5-yl]ethanamine
CID 82379767
5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline
CID 103386879
5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 107874095
2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline
CID 102706436
2,5-di(propan-2-yl)-1H-imidazole
CID 161147285
5-bromo-2-methyl-3-[1-(2-methylbutyl)tetrazol-5-yl]aniline
CID 107873995
5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline
CID 107873997
1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine
CID 82463550

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline?
The IUPAC name of 5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline (CID 107874077) is 5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline.
What is the SMILES notation for 5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline?
The canonical SMILES for 5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline is Cc1c(N)cc(Br)cc1-c1ncc(C(C)C)[nH]1.
What is the InChIKey of 5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline?
The InChIKey is YOLUBRSOQWIOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-7(2)12-6-16-13(17-12)10-4-9(14)5-11(15)8(10)3/h4-7H,15H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline?
5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline has a molecular weight of 294.20 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-(5-propan-2-yl-1H-imidazol-2-yl)aniline is sourced from PubChem (CID 107874077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).