6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole

C34H32N4 — CID 58498768

About 6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole

6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 58498768) has the molecular formula C34H32N4 and a molecular weight of 496.66 g/mol. Its IUPAC name is 6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
• PubChem CID: 58498768
• Molecular Formula: C34H32N4
• Molecular Weight: 496.66 g/mol
• Exact Mass: 496.26
• IUPAC Name: 6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
• SMILES: c1cc2c(cc1-c1ccc3cc(-c4ccc5nc([C@@H]6CCCN6)[nH]c5c4)ccc3c1)CC(C1CCCC1)=N2
• InChI: InChI=1S/C34H32N4/c1-2-5-21(4-1)32-20-28-18-26(11-13-29(28)36-32)24-8-7-23-17-25(10-9-22(23)16-24)27-12-14-30-33(19-27)38-34(37-30)31-6-3-15-35-31/h7-14,16-19,21,31,35H,1-6,15,20H2,(H,37,38)/t31-/m0/s1
• InChIKey: ROUDAUIUMPPGLK-HKBQPEDESA-N
• XLogP: 8.29
• TPSA: 53.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.66
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?

The IUPAC name of 6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole (CID 58498768) is 6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole.

What is the SMILES notation for 6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?

The canonical SMILES for 6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole is c1cc2c(cc1-c1ccc3cc(-c4ccc5nc([C@@H]6CCCN6)[nH]c5c4)ccc3c1)CC(C1CCCC1)=N2.

What is the InChIKey of 6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?

The InChIKey is ROUDAUIUMPPGLK-HKBQPEDESA-N. The full InChI is InChI=1S/C34H32N4/c1-2-5-21(4-1)32-20-28-18-26(11-13-29(28)36-32)24-8-7-23-17-25(10-9-22(23)16-24)27-12-14-30-33(19-27)38-34(37-30)31-6-3-15-35-31/h7-14,16-19,21,31,35H,1-6,15,20H2,(H,37,38)/t31-/m0/s1.

What are the key properties of 6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?

6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 496.66 g/mol, XLogP of 8.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 58498768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).