N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine

C13H16BrN3 — CID 106573029

IUPACN-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1ccc(C)c(Br)c1
InChIInChI=1S/C13H16BrN3/c1-4-17-8-10(3)15-13(17)16-11-6-5-9(2)12(14)7-11/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyYNFNTGFPIMHNTE-UHFFFAOYSA-N
MW294.20 g/mol
LogP4.03
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine

N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine (PubChem CID 106573029) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
PubChem CID106573029
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC NameN-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1ccc(C)c(Br)c1
InChIInChI=1S/C13H16BrN3/c1-4-17-8-10(3)15-13(17)16-11-6-5-9(2)12(14)7-11/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyYNFNTGFPIMHNTE-UHFFFAOYSA-N
XLogP4.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine 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-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106581586
N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106576656
N-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106573028
N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106577587
N-(3-bromo-4-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106572988
N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106561516
N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560009
N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106578611
N-(4-bromo-3-methoxyphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106579189
1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine
CID 106562338
N-(1-ethyl-4-methylimidazol-2-yl)-2,4-dimethylpyridin-3-amine
CID 112742011
1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106570580

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine (CID 106573029) is N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine is CCn1cc(C)nc1Nc1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine?
The InChIKey is YNFNTGFPIMHNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-4-17-8-10(3)15-13(17)16-11-6-5-9(2)12(14)7-11/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine?
N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine has a molecular weight of 294.20 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106573029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).