(5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione

C27H21F2N5O4 — CID 91365888

About (5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 91365888) has the molecular formula C27H21F2N5O4 and a molecular weight of 517.49 g/mol. Its IUPAC name is (5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 91365888
• Molecular Formula: C27H21F2N5O4
• Molecular Weight: 517.49 g/mol
• Exact Mass: 517.16
• IUPAC Name: (5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione
• SMILES: Cn1cc2cc(-c3ccc([C@]4(Cn5cc6ccc(OC(F)F)cc6c5O)NC(=O)NC4=O)cc3)ccc2n1
• InChI: InChI=1S/C27H21F2N5O4/c1-33-12-18-10-16(5-9-22(18)32-33)15-2-6-19(7-3-15)27(24(36)30-26(37)31-27)14-34-13-17-4-8-20(38-25(28)29)11-21(17)23(34)35/h2-13,25,35H,14H2,1H3,(H2,30,31,36,37)/t27-/m0/s1
• InChIKey: DRJMGHRXWLVBRC-MHZLTWQESA-N
• XLogP: 4.24
• TPSA: 110.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.49
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione (CID 91365888) is (5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione is Cn1cc2cc(-c3ccc([C@]4(Cn5cc6ccc(OC(F)F)cc6c5O)NC(=O)NC4=O)cc3)ccc2n1.

What is the InChIKey of (5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione?

The InChIKey is DRJMGHRXWLVBRC-MHZLTWQESA-N. The full InChI is InChI=1S/C27H21F2N5O4/c1-33-12-18-10-16(5-9-22(18)32-33)15-2-6-19(7-3-15)27(24(36)30-26(37)31-27)14-34-13-17-4-8-20(38-25(28)29)11-21(17)23(34)35/h2-13,25,35H,14H2,1H3,(H2,30,31,36,37)/t27-/m0/s1.

What are the key properties of (5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione?

(5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 517.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91365888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).