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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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).