(5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one

C30H32F2N4O3 — CID 175918120

About (5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one

(5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one (PubChem CID 175918120) has the molecular formula C30H32F2N4O3 and a molecular weight of 534.61 g/mol. Its IUPAC name is (5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one
• PubChem CID: 175918120
• Molecular Formula: C30H32F2N4O3
• Molecular Weight: 534.61 g/mol
• Exact Mass: 534.24
• IUPAC Name: (5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one
• SMILES: COC1CCC(n2c([C@@]3(C)CCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
• InChI: InChI=1S/C30H32F2N4O3/c1-17-28(18(2)39-34-17)19-5-12-26-25(15-19)33-29(35(26)20-6-9-22(38-4)10-7-20)30(3)14-13-27(37)36(30)21-8-11-23(31)24(32)16-21/h5,8,11-12,15-16,20,22H,6-7,9-10,13-14H2,1-4H3/t20?,22?,30-/m1/s1
• InChIKey: JQZMQYPKCGQJCI-QNGNIAIQSA-N
• XLogP: 6.76
• TPSA: 73.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.61
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one?

The IUPAC name of (5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one (CID 175918120) is (5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one.

What is the SMILES notation for (5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one?

The canonical SMILES for (5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one is COC1CCC(n2c([C@@]3(C)CCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1.

What is the InChIKey of (5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one?

The InChIKey is JQZMQYPKCGQJCI-QNGNIAIQSA-N. The full InChI is InChI=1S/C30H32F2N4O3/c1-17-28(18(2)39-34-17)19-5-12-26-25(15-19)33-29(35(26)20-6-9-22(38-4)10-7-20)30(3)14-13-27(37)36(30)21-8-11-23(31)24(32)16-21/h5,8,11-12,15-16,20,22H,6-7,9-10,13-14H2,1-4H3/t20?,22?,30-/m1/s1.

What are the key properties of (5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one?

(5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one has a molecular weight of 534.61 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 175918120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).