2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol

C16H20N2O — CID 139518237

IUPAC2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol
SMILESCc1nc2ccc(C(C)(C)O)cc2n1C12CC(C1)C2
InChIInChI=1S/C16H20N2O/c1-10-17-13-5-4-12(15(2,3)19)6-14(13)18(10)16-7-11(8-16)9-16/h4-6,11,19H,7-9H2,1-3H3
InChIKeyYAPUPGGGCJHXOB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.08
Rot. Bonds2

About 2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol

2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol (PubChem CID 139518237) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol
PubChem CID139518237
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol
SMILESCc1nc2ccc(C(C)(C)O)cc2n1C12CC(C1)C2
InChIInChI=1S/C16H20N2O/c1-10-17-13-5-4-12(15(2,3)19)6-14(13)18(10)16-7-11(8-16)9-16/h4-6,11,19H,7-9H2,1-3H3
InChIKeyYAPUPGGGCJHXOB-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-bicyclo[1.1.0]butanyl)-2-methylbenzimidazol-5-yl]propan-2-ol
CID 153346157
N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide
CID 139487162
2-[3-(3,3-difluorocyclobutyl)-2-methylbenzimidazol-5-yl]propan-2-ol;5,5-dimethylhexan-3-one
CID 153345860
2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide
CID 139487167
N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide
CID 139487211
6-tert-butyl-1,2-dimethylbenzimidazole
CID 70331345
2-(3-methylbenzotriazol-5-yl)propan-2-ol
CID 117282413
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide
CID 118938286
N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 118938318
6-tert-butyl-2-methyl-1-phenylbenzimidazole
CID 45104452
N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide
CID 118938261
2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-2-methylpropan-1-ol
CID 117362935

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol (CID 139518237) is 2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol is Cc1nc2ccc(C(C)(C)O)cc2n1C12CC(C1)C2.
What is the InChIKey of 2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol?
The InChIKey is YAPUPGGGCJHXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-17-13-5-4-12(15(2,3)19)6-14(13)18(10)16-7-11(8-16)9-16/h4-6,11,19H,7-9H2,1-3H3.
What are the key properties of 2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol?
2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol is sourced from PubChem (CID 139518237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).