2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine

C13H14F3N3 — CID 65457057

IUPAC2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C13H14F3N3/c1-12(2,17)11-18-7-10(19-11)8-3-5-9(6-4-8)13(14,15)16/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyKFTCCOJYHOUCOI-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.29
Rot. Bonds2

About 2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine

2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine (PubChem CID 65457057) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine
PubChem CID65457057
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C13H14F3N3/c1-12(2,17)11-18-7-10(19-11)8-3-5-9(6-4-8)13(14,15)16/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyKFTCCOJYHOUCOI-UHFFFAOYSA-N
XLogP3.29
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-[4-(2-methoxyethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine
CID 65460263
4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide
CID 65459578
2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol
CID 116881349
3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one
CID 178183729
2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine
CID 65456823
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
CID 79812866
5-[4-(trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazole
CID 18755583
2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65457746
3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine
CID 71523652
1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine
CID 102970675
2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65458906
2-tert-butyl-5-(7-tert-butyl-9H-fluoren-2-yl)-1H-imidazole
CID 118357276

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine?
The IUPAC name of 2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine (CID 65457057) is 2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine?
The canonical SMILES for 2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine is CC(C)(N)c1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine?
The InChIKey is KFTCCOJYHOUCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-12(2,17)11-18-7-10(19-11)8-3-5-9(6-4-8)13(14,15)16/h3-7H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine?
2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine has a molecular weight of 269.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 65457057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).