(3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C29H21Cl2F3N4O3 — CID 151201767

About (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

(3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 151201767) has the molecular formula C29H21Cl2F3N4O3 and a molecular weight of 601.41 g/mol. Its IUPAC name is (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

• Compound Name: (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 151201767
• Molecular Formula: C29H21Cl2F3N4O3
• Molecular Weight: 601.41 g/mol
• Exact Mass: 600.09
• IUPAC Name: (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: Cc1ccc(Cl)cc1N1C(=O)c2nc(-c3ccccc3OC(F)(F)F)n(C(C)C)c2[C@]12C(=O)Nc1cc(Cl)ccc12
• InChI: InChI=1S/C29H21Cl2F3N4O3/c1-14(2)37-24-23(36-25(37)18-6-4-5-7-22(18)41-29(32,33)34)26(39)38(21-13-17(31)9-8-15(21)3)28(24)19-11-10-16(30)12-20(19)35-27(28)40/h4-14H,1-3H3,(H,35,40)/t28-/m1/s1
• InChIKey: NILLBZZKKJVVHT-MUUNZHRXSA-N
• XLogP: 7.50
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.41
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The IUPAC name of (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 151201767) is (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

What is the SMILES notation for (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The canonical SMILES for (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is Cc1ccc(Cl)cc1N1C(=O)c2nc(-c3ccccc3OC(F)(F)F)n(C(C)C)c2[C@]12C(=O)Nc1cc(Cl)ccc12.

What is the InChIKey of (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The InChIKey is NILLBZZKKJVVHT-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H21Cl2F3N4O3/c1-14(2)37-24-23(36-25(37)18-6-4-5-7-22(18)41-29(32,33)34)26(39)38(21-13-17(31)9-8-15(21)3)28(24)19-11-10-16(30)12-20(19)35-27(28)40/h4-14H,1-3H3,(H,35,40)/t28-/m1/s1.

What are the key properties of (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

(3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 601.41 g/mol, XLogP of 7.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-yl-2'-[2-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 151201767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).