1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine

C14H15ClF3N3 — CID 102969902

IUPAC1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cncn1-c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15ClF3N3/c1-8(2)13(19)12-6-20-7-21(12)11-4-9(14(16,17)18)3-10(15)5-11/h3-8,13H,19H2,1-2H3
InChIKeyIZKHHJRNCYCFOB-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.20
Rot. Bonds3

About 1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine

1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine (PubChem CID 102969902) has the molecular formula C14H15ClF3N3 and a molecular weight of 317.74 g/mol. Its IUPAC name is 1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine
PubChem CID102969902
Molecular FormulaC14H15ClF3N3
Molecular Weight317.74 g/mol
Exact Mass317.09
IUPAC Name1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cncn1-c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15ClF3N3/c1-8(2)13(19)12-6-20-7-21(12)11-4-9(14(16,17)18)3-10(15)5-11/h3-8,13H,19H2,1-2H3
InChIKeyIZKHHJRNCYCFOB-UHFFFAOYSA-N
XLogP4.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine
CID 104944066
1-[3-(3,5-difluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969456
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-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine
CID 102969409
1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969634
1-[3-(3,5-dichloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 107581302
(1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine
CID 104941553
2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine
CID 102969698
2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol
CID 102969561
1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 107641151
2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine
CID 102969413

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine (CID 102969902) is 1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine is CC(C)C(N)c1cncn1-c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is IZKHHJRNCYCFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3/c1-8(2)13(19)12-6-20-7-21(12)11-4-9(14(16,17)18)3-10(15)5-11/h3-8,13H,19H2,1-2H3.
What are the key properties of 1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine?
1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 317.74 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 102969902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).