2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole

C33H44N6 — CID 123214802

About 2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole

2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole (PubChem CID 123214802) has the molecular formula C33H44N6 and a molecular weight of 524.76 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole.

Molecular Properties

• Compound Name: 2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole
• PubChem CID: 123214802
• Molecular Formula: C33H44N6
• Molecular Weight: 524.76 g/mol
• Exact Mass: 524.36
• IUPAC Name: 2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole
• SMILES: c1nc(C2CCCN2)[nH]c1-c1ccc(C2CCC(c3cnc(C4CCCN4)[nH]3)CC2)c2c1CCC21CCCC1
• InChI: InChI=1S/C33H44N6/c1-2-15-33(14-1)16-13-25-24(29-20-37-32(39-29)27-6-4-18-35-27)12-11-23(30(25)33)21-7-9-22(10-8-21)28-19-36-31(38-28)26-5-3-17-34-26/h11-12,19-22,26-27,34-35H,1-10,13-18H2,(H,36,38)(H,37,39)
• InChIKey: RJWNFVQKQBOENY-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 81.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.76
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole?

The IUPAC name of 2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole (CID 123214802) is 2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole.

What is the SMILES notation for 2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole?

The canonical SMILES for 2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole is c1nc(C2CCCN2)[nH]c1-c1ccc(C2CCC(c3cnc(C4CCCN4)[nH]3)CC2)c2c1CCC21CCCC1.

What is the InChIKey of 2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole?

The InChIKey is RJWNFVQKQBOENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N6/c1-2-15-33(14-1)16-13-25-24(29-20-37-32(39-29)27-6-4-18-35-27)12-11-23(30(25)33)21-7-9-22(10-8-21)28-19-36-31(38-28)26-5-3-17-34-26/h11-12,19-22,26-27,34-35H,1-10,13-18H2,(H,36,38)(H,37,39).

What are the key properties of 2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole?

2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole has a molecular weight of 524.76 g/mol, XLogP of 6.85, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole is sourced from PubChem (CID 123214802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).