1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone

C23H27N3O2 — CID 25405327

About 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone

1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone (PubChem CID 25405327) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
• PubChem CID: 25405327
• Molecular Formula: C23H27N3O2
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.21
• IUPAC Name: 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
• SMILES: Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1
• InChI: InChI=1S/C23H27N3O2/c1-15(2)17-11-10-16(3)21(13-17)28-14-22(27)26-12-6-9-20(26)23-24-18-7-4-5-8-19(18)25-23/h4-5,7-8,10-11,13,15,20H,6,9,12,14H2,1-3H3,(H,24,25)/t20-/m1/s1
• InChIKey: VJSSKXUVWRYTRX-HXUWFJFHSA-N
• XLogP: 4.74
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?

The IUPAC name of 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone (CID 25405327) is 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone.

What is the SMILES notation for 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?

The canonical SMILES for 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone is Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1.

What is the InChIKey of 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?

The InChIKey is VJSSKXUVWRYTRX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15(2)17-11-10-16(3)21(13-17)28-14-22(27)26-12-6-9-20(26)23-24-18-7-4-5-8-19(18)25-23/h4-5,7-8,10-11,13,15,20H,6,9,12,14H2,1-3H3,(H,24,25)/t20-/m1/s1.

What are the key properties of 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?

1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone has a molecular weight of 377.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 25405327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).