1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine

C14H13BrF3N3 — CID 106574055

IUPAC1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine
SMILESCc1cn(-c2cc(Br)cc(C(F)(F)F)c2)c(NC2CC2)n1
InChIInChI=1S/C14H13BrF3N3/c1-8-7-21(13(19-8)20-11-2-3-11)12-5-9(14(16,17)18)4-10(15)6-12/h4-7,11H,2-3H2,1H3,(H,19,20)
InChIKeyJKLLIXBHFDTWTN-UHFFFAOYSA-N
MW360.18 g/mol
LogP4.54
Rot. Bonds3

About 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine

1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine (PubChem CID 106574055) has the molecular formula C14H13BrF3N3 and a molecular weight of 360.18 g/mol. Its IUPAC name is 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine
PubChem CID106574055
Molecular FormulaC14H13BrF3N3
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine
SMILESCc1cn(-c2cc(Br)cc(C(F)(F)F)c2)c(NC2CC2)n1
InChIInChI=1S/C14H13BrF3N3/c1-8-7-21(13(19-8)20-11-2-3-11)12-5-9(14(16,17)18)4-10(15)6-12/h4-7,11H,2-3H2,1H3,(H,19,20)
InChIKeyJKLLIXBHFDTWTN-UHFFFAOYSA-N
XLogP4.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106558608
1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558666
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
N-cyclopropyl-4-methyl-1-(4-propylphenyl)imidazol-2-amine
CID 106561564
1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106583046
N-cyclopropyl-1-(4-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106555778
N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine
CID 106557550
N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570979
N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine
CID 106558060
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine
CID 65489266
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
CID 65491427
N-cyclohexyl-4-methyl-1-(1-methylpyrazol-4-yl)imidazol-2-amine
CID 106562135

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine?
The IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine (CID 106574055) is 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine is Cc1cn(-c2cc(Br)cc(C(F)(F)F)c2)c(NC2CC2)n1.
What is the InChIKey of 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine?
The InChIKey is JKLLIXBHFDTWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3/c1-8-7-21(13(19-8)20-11-2-3-11)12-5-9(14(16,17)18)4-10(15)6-12/h4-7,11H,2-3H2,1H3,(H,19,20).
What are the key properties of 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine?
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine has a molecular weight of 360.18 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106574055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).