cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone

C29H29N3O — CID 66580226

About cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone

cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 66580226) has the molecular formula C29H29N3O and a molecular weight of 435.57 g/mol. Its IUPAC name is cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 66580226
• Molecular Formula: C29H29N3O
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.23
• IUPAC Name: cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
• SMILES: Cc1cccc2c1nc(-c1ccc(-c3ccccc3)cc1)n2C[C@@H]1CCN(C(=O)C2CC2)C1
• InChI: InChI=1S/C29H29N3O/c1-20-6-5-9-26-27(20)30-28(24-12-10-23(11-13-24)22-7-3-2-4-8-22)32(26)19-21-16-17-31(18-21)29(33)25-14-15-25/h2-13,21,25H,14-19H2,1H3/t21-/m1/s1
• InChIKey: KJUFNYQHQXYQAZ-OAQYLSRUSA-N
• XLogP: 5.94
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone (CID 66580226) is cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone is Cc1cccc2c1nc(-c1ccc(-c3ccccc3)cc1)n2C[C@@H]1CCN(C(=O)C2CC2)C1.

What is the InChIKey of cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The InChIKey is KJUFNYQHQXYQAZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H29N3O/c1-20-6-5-9-26-27(20)30-28(24-12-10-23(11-13-24)22-7-3-2-4-8-22)32(26)19-21-16-17-31(18-21)29(33)25-14-15-25/h2-13,21,25H,14-19H2,1H3/t21-/m1/s1.

What are the key properties of cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 435.57 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 66580226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).