6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane

C32H33N7 — CID 123155536

About 6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane

6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane (PubChem CID 123155536) has the molecular formula C32H33N7 and a molecular weight of 515.67 g/mol. Its IUPAC name is 6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane.

Molecular Properties

• Compound Name: 6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane
• PubChem CID: 123155536
• Molecular Formula: C32H33N7
• Molecular Weight: 515.67 g/mol
• Exact Mass: 515.28
• IUPAC Name: 6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane
• SMILES: CC1(c2ncc(-c3ccc4cc(-c5ccc(-c6cnc(C7CC8(CC8)CN7)[nH]6)cc5)ccc4c3)[nH]2)NCCN1
• InChI: InChI=1S/C32H33N7/c1-31(36-12-13-37-31)30-34-18-28(39-30)25-9-8-23-14-22(6-7-24(23)15-25)20-2-4-21(5-3-20)27-17-33-29(38-27)26-16-32(10-11-32)19-35-26/h2-9,14-15,17-18,26,35-37H,10-13,16,19H2,1H3,(H,33,38)(H,34,39)
• InChIKey: KWPGRAFPJCVNSG-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 93.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.67
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane?

The IUPAC name of 6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane (CID 123155536) is 6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane.

What is the SMILES notation for 6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane?

The canonical SMILES for 6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane is CC1(c2ncc(-c3ccc4cc(-c5ccc(-c6cnc(C7CC8(CC8)CN7)[nH]6)cc5)ccc4c3)[nH]2)NCCN1.

What is the InChIKey of 6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane?

The InChIKey is KWPGRAFPJCVNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7/c1-31(36-12-13-37-31)30-34-18-28(39-30)25-9-8-23-14-22(6-7-24(23)15-25)20-2-4-21(5-3-20)27-17-33-29(38-27)26-16-32(10-11-32)19-35-26/h2-9,14-15,17-18,26,35-37H,10-13,16,19H2,1H3,(H,33,38)(H,34,39).

What are the key properties of 6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane?

6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane has a molecular weight of 515.67 g/mol, XLogP of 5.47, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[4-[6-[2-(2-methylimidazolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane is sourced from PubChem (CID 123155536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).