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

C12H13BrFN3 — CID 106581586

IUPACN-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C12H13BrFN3/c1-3-17-7-8(2)15-12(17)16-9-4-5-11(14)10(13)6-9/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyZHWFSHHFRYQXII-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.86
Rot. Bonds3

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

N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine (PubChem CID 106581586) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine
PubChem CID106581586
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC NameN-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C12H13BrFN3/c1-3-17-7-8(2)15-12(17)16-9-4-5-11(14)10(13)6-9/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyZHWFSHHFRYQXII-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106573029
N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106576656
N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106577587
1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106570580
N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106578611
N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106561516
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-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine
CID 106583303
N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560009
N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine
CID 106579931
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine (CID 106581586) is N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine is CCn1cc(C)nc1Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine?
The InChIKey is ZHWFSHHFRYQXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-3-17-7-8(2)15-12(17)16-9-4-5-11(14)10(13)6-9/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine?
N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine has a molecular weight of 298.16 g/mol, XLogP of 3.86, 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-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106581586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).