N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide

C22H31N3O2 — CID 139487162

About N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide

N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide (PubChem CID 139487162) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide.

Molecular Properties

• Compound Name: N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide
• PubChem CID: 139487162
• Molecular Formula: C22H31N3O2
• Molecular Weight: 369.51 g/mol
• Exact Mass: 369.24
• IUPAC Name: N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide
• SMILES: CC(C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C12CC(C1)C2)C(C)(C)C
• InChI: InChI=1S/C22H31N3O2/c1-13(20(2,3)4)18(26)24-19-23-16-8-7-15(21(5,6)27)9-17(16)25(19)22-10-14(11-22)12-22/h7-9,13-14,27H,10-12H2,1-6H3,(H,23,24,26)
• InChIKey: QYWNFIOUKZZMRS-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 67.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.51
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide?

The IUPAC name of N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide (CID 139487162) is N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide.

What is the SMILES notation for N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide?

The canonical SMILES for N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide is CC(C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C12CC(C1)C2)C(C)(C)C.

What is the InChIKey of N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide?

The InChIKey is QYWNFIOUKZZMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-13(20(2,3)4)18(26)24-19-23-16-8-7-15(21(5,6)27)9-17(16)25(19)22-10-14(11-22)12-22/h7-9,13-14,27H,10-12H2,1-6H3,(H,23,24,26).

What are the key properties of N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide?

N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide has a molecular weight of 369.51 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide is sourced from PubChem (CID 139487162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).