formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol

C16H19F3N2O4 — CID 163333876

IUPACformic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
SMILESCC(C)(O)CCn1ccnc1-c1cccc(OC(F)(F)F)c1.O=CO
InChIInChI=1S/C15H17F3N2O2.CH2O2/c1-14(2,21)6-8-20-9-7-19-13(20)11-4-3-5-12(10-11)22-15(16,17)18;2-1-3/h3-5,7,9-10,21H,6,8H2,1-2H3;1H,(H,2,3)
InChIKeyYLKWUXAYSROBMZ-UHFFFAOYSA-N
MW360.33 g/mol
LogP3.31
Rot. Bonds5

About formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol

formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol (PubChem CID 163333876) has the molecular formula C16H19F3N2O4 and a molecular weight of 360.33 g/mol. Its IUPAC name is formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol.

Molecular Properties

Compound Nameformic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
PubChem CID163333876
Molecular FormulaC16H19F3N2O4
Molecular Weight360.33 g/mol
Exact Mass360.13
IUPAC Nameformic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
SMILESCC(C)(O)CCn1ccnc1-c1cccc(OC(F)(F)F)c1.O=CO
InChIInChI=1S/C15H17F3N2O2.CH2O2/c1-14(2,21)6-8-20-9-7-19-13(20)11-4-3-5-12(10-11)22-15(16,17)18;2-1-3/h3-5,7,9-10,21H,6,8H2,1-2H3;1H,(H,2,3)
InChIKeyYLKWUXAYSROBMZ-UHFFFAOYSA-N
XLogP3.31
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol
CID 155494598
2-[2-(3-phenylmethoxyphenyl)imidazol-1-yl]ethanol
CID 56746066
formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine
CID 155940294
2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol
CID 129041207
(3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
CID 154823350
1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole
CID 114210627
2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole
CID 173241716
2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol
CID 146040453
ethyl 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxylate
CID 156881456
1-(3,3-difluorobutyl)-2-methylimidazole
CID 126793824
2-[2-[3-(2-methylphenyl)phenyl]imidazol-1-yl]ethanol
CID 56740009
2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134625724

Frequently Asked Questions

What is the IUPAC name of formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol?
The IUPAC name of formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol (CID 163333876) is formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol.
What is the SMILES notation for formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol?
The canonical SMILES for formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol is CC(C)(O)CCn1ccnc1-c1cccc(OC(F)(F)F)c1.O=CO.
What is the InChIKey of formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol?
The InChIKey is YLKWUXAYSROBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2.CH2O2/c1-14(2,21)6-8-20-9-7-19-13(20)11-4-3-5-12(10-11)22-15(16,17)18;2-1-3/h3-5,7,9-10,21H,6,8H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol?
formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol has a molecular weight of 360.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol is sourced from PubChem (CID 163333876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).