2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole

C34H32N6 — CID 66982264

About 2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole

2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole (PubChem CID 66982264) has the molecular formula C34H32N6 and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole
• PubChem CID: 66982264
• Molecular Formula: C34H32N6
• Molecular Weight: 524.67 g/mol
• Exact Mass: 524.27
• IUPAC Name: 2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole
• SMILES: c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc2cc(-c3ccc4nc([C@@H]5CCCN5)[nH]c4c3)ccc2c1
• InChI: InChI=1S/C34H32N6/c1-3-29(35-15-1)33-37-20-32(40-33)22-7-5-21(6-8-22)23-9-10-25-18-26(12-11-24(25)17-23)27-13-14-28-31(19-27)39-34(38-28)30-4-2-16-36-30/h5-14,17-20,29-30,35-36H,1-4,15-16H2,(H,37,40)(H,38,39)/t29-,30-/m0/s1
• InChIKey: ZZKQGTKNVGWELI-KYJUHHDHSA-N
• XLogP: 7.29
• TPSA: 81.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.67
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole?

The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole (CID 66982264) is 2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole.

What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole?

The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole is c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc2cc(-c3ccc4nc([C@@H]5CCCN5)[nH]c4c3)ccc2c1.

What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole?

The InChIKey is ZZKQGTKNVGWELI-KYJUHHDHSA-N. The full InChI is InChI=1S/C34H32N6/c1-3-29(35-15-1)33-37-20-32(40-33)22-7-5-21(6-8-22)23-9-10-25-18-26(12-11-24(25)17-23)27-13-14-28-31(19-27)39-34(38-28)30-4-2-16-36-30/h5-14,17-20,29-30,35-36H,1-4,15-16H2,(H,37,40)(H,38,39)/t29-,30-/m0/s1.

What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole?

2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole has a molecular weight of 524.67 g/mol, XLogP of 7.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole is sourced from PubChem (CID 66982264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).