1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol

C13H13F3N2O — CID 62115942

IUPAC1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)Cc1ncc[nH]1
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)10-3-1-9(2-4-10)7-11(19)8-12-17-5-6-18-12/h1-6,11,19H,7-8H2,(H,17,18)
InChIKeyUQQZTKCSVNVIFH-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.57
Rot. Bonds4

About 1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol

1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 62115942) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID62115942
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)Cc1ncc[nH]1
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)10-3-1-9(2-4-10)7-11(19)8-12-17-5-6-18-12/h1-6,11,19H,7-8H2,(H,17,18)
InChIKeyUQQZTKCSVNVIFH-UHFFFAOYSA-N
XLogP2.57
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 62115942) is 1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol is OC(Cc1ccc(C(F)(F)F)cc1)Cc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is UQQZTKCSVNVIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-13(15,16)10-3-1-9(2-4-10)7-11(19)8-12-17-5-6-18-12/h1-6,11,19H,7-8H2,(H,17,18).
What are the key properties of 1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 270.25 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 62115942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).