[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol

C6H7F3N2O — CID 105438499

IUPAC[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol
SMILESCc1[nH]c(CO)nc1C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-3-5(6(7,8)9)11-4(2-12)10-3/h12H,2H2,1H3,(H,10,11)
InChIKeyXRPXYABDQMGDML-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.23
Rot. Bonds1

About [5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol

[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol (PubChem CID 105438499) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is [5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol
PubChem CID105438499
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol
SMILESCc1[nH]c(CO)nc1C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-3-5(6(7,8)9)11-4(2-12)10-3/h12H,2H2,1H3,(H,10,11)
InChIKeyXRPXYABDQMGDML-UHFFFAOYSA-N
XLogP1.23
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol?
The IUPAC name of [5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol (CID 105438499) is [5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol is Cc1[nH]c(CO)nc1C(F)(F)F.
What is the InChIKey of [5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol?
The InChIKey is XRPXYABDQMGDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-3-5(6(7,8)9)11-4(2-12)10-3/h12H,2H2,1H3,(H,10,11).
What are the key properties of [5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol?
[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol has a molecular weight of 180.13 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol is sourced from PubChem (CID 105438499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).