2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol

C18H17F3N2O2 — CID 129041207

IUPAC2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cnc2ccc(-c3cccc(OC(F)(F)F)c3)cc21
InChIInChI=1S/C18H17F3N2O2/c1-17(2,24)10-23-11-22-15-7-6-13(9-16(15)23)12-4-3-5-14(8-12)25-18(19,20)21/h3-9,11,24H,10H2,1-2H3
InChIKeyBGSKJJDEBQHMIZ-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.37
Rot. Bonds4

About 2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol

2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol (PubChem CID 129041207) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol
PubChem CID129041207
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cnc2ccc(-c3cccc(OC(F)(F)F)c3)cc21
InChIInChI=1S/C18H17F3N2O2/c1-17(2,24)10-23-11-22-15-7-6-13(9-16(15)23)12-4-3-5-14(8-12)25-18(19,20)21/h3-9,11,24H,10H2,1-2H3
InChIKeyBGSKJJDEBQHMIZ-UHFFFAOYSA-N
XLogP4.37
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzimidazole
CID 122608789
2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 20709419
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
CID 163333876
3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 107105116
1-(2,2-dimethylpropyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 122487160
5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628617
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
2-methylsulfanyl-5-[3-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-1,3,4-oxadiazole
CID 68663399
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol
CID 160753459

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol (CID 129041207) is 2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol is CC(C)(O)Cn1cnc2ccc(-c3cccc(OC(F)(F)F)c3)cc21.
What is the InChIKey of 2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol?
The InChIKey is BGSKJJDEBQHMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-17(2,24)10-23-11-22-15-7-6-13(9-16(15)23)12-4-3-5-14(8-12)25-18(19,20)21/h3-9,11,24H,10H2,1-2H3.
What are the key properties of 2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol?
2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol has a molecular weight of 350.34 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 129041207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).