2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one

C21H26F3N3O3 — CID 45234133

IUPAC2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)(O)C(=O)N1CCC(n2c(C3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C21H26F3N3O3/c1-20(2,29)19(28)26-9-7-14(8-10-26)27-16-6-5-13(21(22,23)24)12-15(16)25-18(27)17-4-3-11-30-17/h5-6,12,14,17,29H,3-4,7-11H2,1-2H3
InChIKeyPFEKHAQXLUFBDP-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.84
Rot. Bonds3

About 2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one

2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 45234133) has the molecular formula C21H26F3N3O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID45234133
Molecular FormulaC21H26F3N3O3
Molecular Weight425.45 g/mol
Exact Mass425.19
IUPAC Name2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)(O)C(=O)N1CCC(n2c(C3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C21H26F3N3O3/c1-20(2,29)19(28)26-9-7-14(8-10-26)27-16-6-5-13(21(22,23)24)12-15(16)25-18(27)17-4-3-11-30-17/h5-6,12,14,17,29H,3-4,7-11H2,1-2H3
InChIKeyPFEKHAQXLUFBDP-UHFFFAOYSA-N
XLogP3.84
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one (CID 45234133) is 2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one is CC(C)(O)C(=O)N1CCC(n2c(C3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of 2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is PFEKHAQXLUFBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O3/c1-20(2,29)19(28)26-9-7-14(8-10-26)27-16-6-5-13(21(22,23)24)12-15(16)25-18(27)17-4-3-11-30-17/h5-6,12,14,17,29H,3-4,7-11H2,1-2H3.
What are the key properties of 2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one?
2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 425.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 45234133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).