2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide

C22H29N3O2 — CID 139487167

IUPAC2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)CC34CC(C3)C4)n(C3(C)CCC3)c2c1
InChIInChI=1S/C22H29N3O2/c1-20(2,27)15-5-6-16-17(9-15)25(21(3)7-4-8-21)19(23-16)24-18(26)13-22-10-14(11-22)12-22/h5-6,9,14,27H,4,7-8,10-13H2,1-3H3,(H,23,24,26)
InChIKeyWDWBHPMTQFGGCE-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.29
Rot. Bonds5

About 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide

2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide (PubChem CID 139487167) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide
PubChem CID139487167
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)CC34CC(C3)C4)n(C3(C)CCC3)c2c1
InChIInChI=1S/C22H29N3O2/c1-20(2,27)15-5-6-16-17(9-15)25(21(3)7-4-8-21)19(23-16)24-18(26)13-22-10-14(11-22)12-22/h5-6,9,14,27H,4,7-8,10-13H2,1-3H3,(H,23,24,26)
InChIKeyWDWBHPMTQFGGCE-UHFFFAOYSA-N
XLogP4.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide
CID 139487162
3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide
CID 129064921
(3S)-N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide
CID 129075695
N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide
CID 129075721
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
CID 118938346
(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide
CID 130359679
(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359666
2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol
CID 139518237
N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
CID 129075684
(3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 130361425
N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide
CID 139487211
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide
CID 118938286

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide?
The IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide (CID 139487167) is 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide.
What is the SMILES notation for 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide?
The canonical SMILES for 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide is CC(C)(O)c1ccc2nc(NC(=O)CC34CC(C3)C4)n(C3(C)CCC3)c2c1.
What is the InChIKey of 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide?
The InChIKey is WDWBHPMTQFGGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-20(2,27)15-5-6-16-17(9-15)25(21(3)7-4-8-21)19(23-16)24-18(26)13-22-10-14(11-22)12-22/h5-6,9,14,27H,4,7-8,10-13H2,1-3H3,(H,23,24,26).
What are the key properties of 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide?
2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide is sourced from PubChem (CID 139487167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).