2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol

C5H5F3N2O — CID 70606121

IUPAC2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol
SMILESCc1nc(O)c(C(F)(F)F)[nH]1
InChIInChI=1S/C5H5F3N2O/c1-2-9-3(4(11)10-2)5(6,7)8/h11H,1H3,(H,9,10)
InChIKeyYBQDZMQCRYXDFD-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.44
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol

2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol (PubChem CID 70606121) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol
PubChem CID70606121
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol
SMILESCc1nc(O)c(C(F)(F)F)[nH]1
InChIInChI=1S/C5H5F3N2O/c1-2-9-3(4(11)10-2)5(6,7)8/h11H,1H3,(H,9,10)
InChIKeyYBQDZMQCRYXDFD-UHFFFAOYSA-N
XLogP1.44
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol (CID 70606121) is 2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol is Cc1nc(O)c(C(F)(F)F)[nH]1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol?
The InChIKey is YBQDZMQCRYXDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c1-2-9-3(4(11)10-2)5(6,7)8/h11H,1H3,(H,9,10).
What are the key properties of 2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol?
2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol has a molecular weight of 166.10 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1H-imidazol-4-ol is sourced from PubChem (CID 70606121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).