2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol

C17H16F3N3O — CID 129056147

IUPAC2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cnc2ccc(-c3ccc(C(F)(F)F)nc3)cc21
InChIInChI=1S/C17H16F3N3O/c1-16(2,24)9-23-10-22-13-5-3-11(7-14(13)23)12-4-6-15(21-8-12)17(18,19)20/h3-8,10,24H,9H2,1-2H3
InChIKeySAGPSPZZDMDEFQ-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.89
Rot. Bonds3

About 2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol

2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol (PubChem CID 129056147) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol
PubChem CID129056147
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cnc2ccc(-c3ccc(C(F)(F)F)nc3)cc21
InChIInChI=1S/C17H16F3N3O/c1-16(2,24)9-23-10-22-13-5-3-11(7-14(13)23)12-4-6-15(21-8-12)17(18,19)20/h3-8,10,24H,9H2,1-2H3
InChIKeySAGPSPZZDMDEFQ-UHFFFAOYSA-N
XLogP3.89
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol
CID 129041207
6-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one;3-(2-hydroxy-2-methylpropyl)-6-[6-(trifluoromethyl)-3-pyridinyl]-1H-benzimidazol-2-one
CID 157302918
6-[6-(trifluoromethyl)-3-pyridinyl]quinoline
CID 175877978
ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine
CID 177229845
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid
CID 140555411
1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol
CID 166736392
5-pyridin-4-yl-2-(trifluoromethyl)pyridine
CID 46316298
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride
CID 140555410
[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 118222664
5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine
CID 144704292
N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide
CID 144826742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol (CID 129056147) is 2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol is CC(C)(O)Cn1cnc2ccc(-c3ccc(C(F)(F)F)nc3)cc21.
What is the InChIKey of 2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol?
The InChIKey is SAGPSPZZDMDEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-16(2,24)9-23-10-22-13-5-3-11(7-14(13)23)12-4-6-15(21-8-12)17(18,19)20/h3-8,10,24H,9H2,1-2H3.
What are the key properties of 2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol?
2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol has a molecular weight of 335.33 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 129056147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).