5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol

C20H22F3N3O2 — CID 166736356

IUPAC5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol
SMILESCC1=CC(c2ccc3nc(C4CC4)n(CCOC(F)(F)F)c3c2)=CN(C)C1O
InChIInChI=1S/C20H22F3N3O2/c1-12-9-15(11-25(2)19(12)27)14-5-6-16-17(10-14)26(7-8-28-20(21,22)23)18(24-16)13-3-4-13/h5-6,9-11,13,19,27H,3-4,7-8H2,1-2H3
InChIKeyKAEPAFONZWHSRU-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.00
Rot. Bonds5

About 5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol

5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol (PubChem CID 166736356) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol.

Molecular Properties

Compound Name5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol
PubChem CID166736356
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol
SMILESCC1=CC(c2ccc3nc(C4CC4)n(CCOC(F)(F)F)c3c2)=CN(C)C1O
InChIInChI=1S/C20H22F3N3O2/c1-12-9-15(11-25(2)19(12)27)14-5-6-16-17(10-14)26(7-8-28-20(21,22)23)18(24-16)13-3-4-13/h5-6,9-11,13,19,27H,3-4,7-8H2,1-2H3
InChIKeyKAEPAFONZWHSRU-UHFFFAOYSA-N
XLogP4.00
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol with MolForge

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Related Compounds

3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol
CID 166736365
1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol
CID 166736392
1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 126582741
5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol
CID 166736399
6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole
CID 126572581
1,3-dimethyl-5-[2-(oxolan-3-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 126582821
6-bromo-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)ethyl]benzimidazole;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 159329509
tert-butyl 10-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[2-(trifluoromethoxy)ethyl]benzimidazol-2-yl]piperidin-1-yl]decanoate
CID 176893476
6-bromo-2-cyclopropyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole;tert-butyl N-[5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate
CID 158713016
6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114584793
2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid
CID 82773778
2-cyclopropyl-3-(2-methylsulfanylethyl)benzimidazole-5-carboxylic acid
CID 82790482

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol?
The IUPAC name of 5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol (CID 166736356) is 5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol.
What is the SMILES notation for 5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol?
The canonical SMILES for 5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol is CC1=CC(c2ccc3nc(C4CC4)n(CCOC(F)(F)F)c3c2)=CN(C)C1O.
What is the InChIKey of 5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol?
The InChIKey is KAEPAFONZWHSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-12-9-15(11-25(2)19(12)27)14-5-6-16-17(10-14)26(7-8-28-20(21,22)23)18(24-16)13-3-4-13/h5-6,9-11,13,19,27H,3-4,7-8H2,1-2H3.
What are the key properties of 5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol?
5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol has a molecular weight of 393.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol is sourced from PubChem (CID 166736356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).