2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole

C31H34N4Si — CID 58427217

About 2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole

2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole (PubChem CID 58427217) has the molecular formula C31H34N4Si and a molecular weight of 490.73 g/mol. Its IUPAC name is 2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole.

Molecular Properties

• Compound Name: 2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole
• PubChem CID: 58427217
• Molecular Formula: C31H34N4Si
• Molecular Weight: 490.73 g/mol
• Exact Mass: 490.26
• IUPAC Name: 2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole
• SMILES: C[Si]1(C)CC[C@H](c2ncc(-c3ccc(-c4ccc5c(ccc6[nH]c(C7CCCC7)nc65)c4)cc3)[nH]2)C1
• InChI: InChI=1S/C31H34N4Si/c1-36(2)16-15-25(19-36)30-32-18-28(34-30)21-9-7-20(8-10-21)23-11-13-26-24(17-23)12-14-27-29(26)35-31(33-27)22-5-3-4-6-22/h7-14,17-18,22,25H,3-6,15-16,19H2,1-2H3,(H,32,34)(H,33,35)/t25-/m0/s1
• InChIKey: ZQWURIFMDSZGCL-VWLOTQADSA-N
• XLogP: 8.63
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.73
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole?

The IUPAC name of 2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole (CID 58427217) is 2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole.

What is the SMILES notation for 2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole?

The canonical SMILES for 2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole is C[Si]1(C)CC[C@H](c2ncc(-c3ccc(-c4ccc5c(ccc6[nH]c(C7CCCC7)nc65)c4)cc3)[nH]2)C1.

What is the InChIKey of 2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole?

The InChIKey is ZQWURIFMDSZGCL-VWLOTQADSA-N. The full InChI is InChI=1S/C31H34N4Si/c1-36(2)16-15-25(19-36)30-32-18-28(34-30)21-9-7-20(8-10-21)23-11-13-26-24(17-23)12-14-27-29(26)35-31(33-27)22-5-3-4-6-22/h7-14,17-18,22,25H,3-6,15-16,19H2,1-2H3,(H,32,34)(H,33,35)/t25-/m0/s1.

What are the key properties of 2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole?

2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole has a molecular weight of 490.73 g/mol, XLogP of 8.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole is sourced from PubChem (CID 58427217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).