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

C22H24F3N3O2 — CID 166736365

IUPAC3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol
SMILESCN1C=C(c2ccc3nc(C4CC4)n(CCOC(F)(F)F)c3c2)C=C(C2CC2)C1O
InChIInChI=1S/C22H24F3N3O2/c1-27-12-16(10-17(21(27)29)13-2-3-13)15-6-7-18-19(11-15)28(8-9-30-22(23,24)25)20(26-18)14-4-5-14/h6-7,10-14,21,29H,2-5,8-9H2,1H3
InChIKeyRPHZMIVVAWJNET-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.39
Rot. Bonds6

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

3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol (PubChem CID 166736365) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol.

Molecular Properties

Compound Name3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol
PubChem CID166736365
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol
SMILESCN1C=C(c2ccc3nc(C4CC4)n(CCOC(F)(F)F)c3c2)C=C(C2CC2)C1O
InChIInChI=1S/C22H24F3N3O2/c1-27-12-16(10-17(21(27)29)13-2-3-13)15-6-7-18-19(11-15)28(8-9-30-22(23,24)25)20(26-18)14-4-5-14/h6-7,10-14,21,29H,2-5,8-9H2,1H3
InChIKeyRPHZMIVVAWJNET-UHFFFAOYSA-N
XLogP4.39
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol?
The IUPAC name of 3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol (CID 166736365) is 3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol.
What is the SMILES notation for 3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol?
The canonical SMILES for 3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol is CN1C=C(c2ccc3nc(C4CC4)n(CCOC(F)(F)F)c3c2)C=C(C2CC2)C1O.
What is the InChIKey of 3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol?
The InChIKey is RPHZMIVVAWJNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-27-12-16(10-17(21(27)29)13-2-3-13)15-6-7-18-19(11-15)28(8-9-30-22(23,24)25)20(26-18)14-4-5-14/h6-7,10-14,21,29H,2-5,8-9H2,1H3.
What are the key properties of 3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol?
3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol has a molecular weight of 419.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol is sourced from PubChem (CID 166736365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).