(1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine

C13H13ClF3N3 — CID 104944066

IUPAC(1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13ClF3N3/c1-2-11(18)12-6-19-7-20(12)10-4-8(13(15,16)17)3-9(14)5-10/h3-7,11H,2,18H2,1H3/t11-/m1/s1
InChIKeyRCVCPDCIVQRTCC-LLVKDONJSA-N
MW303.72 g/mol
LogP3.95
Rot. Bonds3

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

(1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine (PubChem CID 104944066) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.72 g/mol. Its IUPAC name is (1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine
PubChem CID104944066
Molecular FormulaC13H13ClF3N3
Molecular Weight303.72 g/mol
Exact Mass303.08
IUPAC Name(1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13ClF3N3/c1-2-11(18)12-6-19-7-20(12)10-4-8(13(15,16)17)3-9(14)5-10/h3-7,11H,2,18H2,1H3/t11-/m1/s1
InChIKeyRCVCPDCIVQRTCC-LLVKDONJSA-N
XLogP3.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-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

1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969902
1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 114706260
(1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine
CID 104941641
(1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 104943209
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine
CID 104943468
(1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine
CID 104941719
(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine
CID 104941487
(1R)-1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]propan-1-amine
CID 107641143
(1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine
CID 104941535
(1R)-1-(3-quinolin-6-ylimidazol-4-yl)propan-1-amine
CID 104942904
1-[3-(3,5-dichloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 107581302
1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82029153

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine (CID 104944066) is (1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1-c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of (1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine?
The InChIKey is RCVCPDCIVQRTCC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13ClF3N3/c1-2-11(18)12-6-19-7-20(12)10-4-8(13(15,16)17)3-9(14)5-10/h3-7,11H,2,18H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine?
(1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine has a molecular weight of 303.72 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104944066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).