(5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione

C106H88F6N20O17S — CID 160752307

About (5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione

(5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione (PubChem CID 160752307) has the molecular formula C106H88F6N20O17S and a molecular weight of 2060.05 g/mol. Its IUPAC name is (5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 160752307
• Molecular Formula: C106H88F6N20O17S
• Molecular Weight: 2060.05 g/mol
• Exact Mass: 2058.63
• IUPAC Name: (5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C(F)(F)F)cc5ncn(CC6CC6)c45)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(-c5nccs5)cn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cn(C)nc4C(F)(F)F)cc3)NC(=O)NC1=O)C2.COc1cnc(-c2ccc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)nc1
• InChI: InChI=1S/C31H26F3N5O4.C27H21N5O4S.C24H20F3N5O4.C24H21N5O5/c1-43-22-9-6-19-14-38(27(40)24(19)12-22)15-30(28(41)36-29(42)37-30)20-7-4-18(5-8-20)23-10-21(31(32,33)34)11-25-26(23)39(16-35-25)13-17-2-3-17;1-36-20-8-4-18-14-32(24(33)21(18)12-20)15-27(25(34)30-26(35)31-27)19-6-2-16(3-7-19)22-9-5-17(13-29-22)23-28-10-11-37-23;1-31-11-18(19(30-31)24(25,26)27)13-3-6-15(7-4-13)23(21(34)28-22(35)29-23)12-32-10-14-5-8-16(36-2)9-17(14)20(32)33;1-33-17-8-5-15-12-29(21(30)19(15)9-17)13-24(22(31)27-23(32)28-24)16-6-3-14(4-7-16)20-25-10-18(34-2)11-26-20/h4-12,16-17H,2-3,13-15H2,1H3,(H2,36,37,41,42);2-13H,14-15H2,1H3,(H2,30,31,34,35);3-9,11H,10,12H2,1-2H3,(H2,28,29,34,35);3-11H,12-13H2,1-2H3,(H2,27,28,31,32)/t30-;27-;23-;24-/m0000/s1
• InChIKey: RWZHMIOLBOMOGI-NBIRZWIBSA-N
• XLogP: 13.06
• TPSA: 447.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2060.05
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione (CID 160752307) is (5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C(F)(F)F)cc5ncn(CC6CC6)c45)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(-c5nccs5)cn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cn(C)nc4C(F)(F)F)cc3)NC(=O)NC1=O)C2.COc1cnc(-c2ccc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)nc1.

What is the InChIKey of (5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

The InChIKey is RWZHMIOLBOMOGI-NBIRZWIBSA-N. The full InChI is InChI=1S/C31H26F3N5O4.C27H21N5O4S.C24H20F3N5O4.C24H21N5O5/c1-43-22-9-6-19-14-38(27(40)24(19)12-22)15-30(28(41)36-29(42)37-30)20-7-4-18(5-8-20)23-10-21(31(32,33)34)11-25-26(23)39(16-35-25)13-17-2-3-17;1-36-20-8-4-18-14-32(24(33)21(18)12-20)15-27(25(34)30-26(35)31-27)19-6-2-16(3-7-19)22-9-5-17(13-29-22)23-28-10-11-37-23;1-31-11-18(19(30-31)24(25,26)27)13-3-6-15(7-4-13)23(21(34)28-22(35)29-23)12-32-10-14-5-8-16(36-2)9-17(14)20(32)33;1-33-17-8-5-15-12-29(21(30)19(15)9-17)13-24(22(31)27-23(32)28-24)16-6-3-14(4-7-16)20-25-10-18(34-2)11-26-20/h4-12,16-17H,2-3,13-15H2,1H3,(H2,36,37,41,42);2-13H,14-15H2,1H3,(H2,30,31,34,35);3-9,11H,10,12H2,1-2H3,(H2,28,29,34,35);3-11H,12-13H2,1-2H3,(H2,27,28,31,32)/t30-;27-;23-;24-/m0000/s1.

What are the key properties of (5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

(5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 2060.05 g/mol, XLogP of 13.06, 24 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 160752307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).