N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

C20H24F3N3O2 — CID 129064818

IUPACN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)C3(C(F)(F)F)CCC3)n(C3CCC3)c2c1
InChIInChI=1S/C20H24F3N3O2/c1-18(2,28)12-7-8-14-15(11-12)26(13-5-3-6-13)17(24-14)25-16(27)19(9-4-10-19)20(21,22)23/h7-8,11,13,28H,3-6,9-10H2,1-2H3,(H,24,25,27)
InChIKeyPCZRIDQKUIOUJZ-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.66
Rot. Bonds4

About N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 129064818) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID129064818
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)C3(C(F)(F)F)CCC3)n(C3CCC3)c2c1
InChIInChI=1S/C20H24F3N3O2/c1-18(2,28)12-7-8-14-15(11-12)26(13-5-3-6-13)17(24-14)25-16(27)19(9-4-10-19)20(21,22)23/h7-8,11,13,28H,3-6,9-10H2,1-2H3,(H,24,25,27)
InChIKeyPCZRIDQKUIOUJZ-UHFFFAOYSA-N
XLogP4.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 10114595
2-[3-Ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide
CID 126726526
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide
CID 126729829
1-[3-Ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol
CID 126726363
US10414734, Example 2-14
CID 135221584
N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-5,5,5-trifluoro-3,3-dimethylpentanamide
CID 129075704
N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide
CID 129064854
2,3,4-trifluoro-N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]benzamide
CID 21899138
N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 21899166
N-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide
CID 22270279
4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide
CID 57265337
N-[1-[4-hydroxy-4-(3-methylbenzimidazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide
CID 59541895

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 129064818) is N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is CC(C)(O)c1ccc2nc(NC(=O)C3(C(F)(F)F)CCC3)n(C3CCC3)c2c1.
What is the InChIKey of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is PCZRIDQKUIOUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-18(2,28)12-7-8-14-15(11-12)26(13-5-3-6-13)17(24-14)25-16(27)19(9-4-10-19)20(21,22)23/h7-8,11,13,28H,3-6,9-10H2,1-2H3,(H,24,25,27).
What are the key properties of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 129064818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).