1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol

C11H15F3N2O — CID 159191113

IUPAC1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
SMILESCC(O)Cc1ncc(CC2(C(F)(F)F)CC2)[nH]1
InChIInChI=1S/C11H15F3N2O/c1-7(17)4-9-15-6-8(16-9)5-10(2-3-10)11(12,13)14/h6-7,17H,2-5H2,1H3,(H,15,16)
InChIKeyKOCDXTQTUWPZLK-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.22
Rot. Bonds4

About 1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol

1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol (PubChem CID 159191113) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
PubChem CID159191113
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
SMILESCC(O)Cc1ncc(CC2(C(F)(F)F)CC2)[nH]1
InChIInChI=1S/C11H15F3N2O/c1-7(17)4-9-15-6-8(16-9)5-10(2-3-10)11(12,13)14/h6-7,17H,2-5H2,1H3,(H,15,16)
InChIKeyKOCDXTQTUWPZLK-UHFFFAOYSA-N
XLogP2.22
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol?
The IUPAC name of 1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol (CID 159191113) is 1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol.
What is the SMILES notation for 1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol?
The canonical SMILES for 1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol is CC(O)Cc1ncc(CC2(C(F)(F)F)CC2)[nH]1.
What is the InChIKey of 1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol?
The InChIKey is KOCDXTQTUWPZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-7(17)4-9-15-6-8(16-9)5-10(2-3-10)11(12,13)14/h6-7,17H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol?
1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol has a molecular weight of 248.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol is sourced from PubChem (CID 159191113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).