2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole

C26H24F4N6 — CID 59669089

About 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole

2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole (PubChem CID 59669089) has the molecular formula C26H24F4N6 and a molecular weight of 496.51 g/mol. Its IUPAC name is 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole.

Molecular Properties

• Compound Name: 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
• PubChem CID: 59669089
• Molecular Formula: C26H24F4N6
• Molecular Weight: 496.51 g/mol
• Exact Mass: 496.20
• IUPAC Name: 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
• SMILES: FC1(F)CN[C@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC(F)(F)CN6)[nH]5)cc4)cc3)[nH]2)C1
• InChI: InChI=1S/C26H24F4N6/c27-25(28)9-19(33-13-25)23-31-11-21(35-23)17-5-1-15(2-6-17)16-3-7-18(8-4-16)22-12-32-24(36-22)20-10-26(29,30)14-34-20/h1-8,11-12,19-20,33-34H,9-10,13-14H2,(H,31,35)(H,32,36)/t19-,20-/m0/s1
• InChIKey: WBHDOHVQJJJSME-PMACEKPBSA-N
• XLogP: 5.47
• TPSA: 81.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.51
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?

The IUPAC name of 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole (CID 59669089) is 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole.

What is the SMILES notation for 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?

The canonical SMILES for 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole is FC1(F)CN[C@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC(F)(F)CN6)[nH]5)cc4)cc3)[nH]2)C1.

What is the InChIKey of 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?

The InChIKey is WBHDOHVQJJJSME-PMACEKPBSA-N. The full InChI is InChI=1S/C26H24F4N6/c27-25(28)9-19(33-13-25)23-31-11-21(35-23)17-5-1-15(2-6-17)16-3-7-18(8-4-16)22-12-32-24(36-22)20-10-26(29,30)14-34-20/h1-8,11-12,19-20,33-34H,9-10,13-14H2,(H,31,35)(H,32,36)/t19-,20-/m0/s1.

What are the key properties of 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?

2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole has a molecular weight of 496.51 g/mol, XLogP of 5.47, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole is sourced from PubChem (CID 59669089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).