2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine

C14H15BrF3N3 — CID 114708321

IUPAC2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1-c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15BrF3N3/c1-13(2,19-3)12-7-20-8-21(12)11-5-9(14(16,17)18)4-10(15)6-11/h4-8,19H,1-3H3
InChIKeyFVADYTJVPIEZBF-UHFFFAOYSA-N
MW362.19 g/mol
LogP4.11
Rot. Bonds3

About 2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine

2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114708321) has the molecular formula C14H15BrF3N3 and a molecular weight of 362.19 g/mol. Its IUPAC name is 2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114708321
Molecular FormulaC14H15BrF3N3
Molecular Weight362.19 g/mol
Exact Mass361.04
IUPAC Name2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1-c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15BrF3N3/c1-13(2,19-3)12-7-20-8-21(12)11-5-9(14(16,17)18)4-10(15)6-11/h4-8,19H,1-3H3
InChIKeyFVADYTJVPIEZBF-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 114706260
(1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 104943209
2-[3-(2,5-dibromophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708174
2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107590634
4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile
CID 107795786
2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107531998
1-[3-bromo-5-(trifluoromethyl)phenyl]-3-methyl-1,2,4-triazole
CID 166607586
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine
CID 106574055
2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114705714
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708232
tert-butyl N-[3-(5-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamate
CID 86606803
2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708064

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine (CID 114708321) is 2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1-c1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is FVADYTJVPIEZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3N3/c1-13(2,19-3)12-7-20-8-21(12)11-5-9(14(16,17)18)4-10(15)6-11/h4-8,19H,1-3H3.
What are the key properties of 2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 362.19 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114708321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).