(5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione

C109H97ClF7N21O16 — CID 162213605

About (5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione

(5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 162213605) has the molecular formula C109H97ClF7N21O16 and a molecular weight of 2125.54 g/mol. Its IUPAC name is (5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 162213605
• Molecular Formula: C109H97ClF7N21O16
• Molecular Weight: 2125.54 g/mol
• Exact Mass: 2123.70
• IUPAC Name: (5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
• SMILES: CC1(CN2Cc3ccc(C(F)(F)F)cc3C2=O)NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(CC5CC5)c4)cc3)NC(=O)NC1=O)C2.O=C1NC(=O)C(CN2Cc3ccc(C(F)(F)F)cc3C2=O)(c2ccc(F)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2)(c2ccc(-c3cnn(CC4CC4)c3)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2ccc(-c3cnn(CC4CC4)c3)cc2)N1
• InChI: InChI=1S/C26H25N5O4.C25H24ClN5O2.C25H23N5O4.C19H13F4N3O3.C14H12F3N3O3/c1-35-21-9-6-18-13-30(23(32)22(18)10-21)15-26(24(33)28-25(34)29-26)20-7-4-17(5-8-20)19-11-27-31(14-19)12-16-2-3-16;26-22-8-5-18-12-30(13-19(18)9-22)15-25(23(32)28-24(33)29-25)21-6-3-17(4-7-21)20-10-27-31(14-20)11-16-1-2-16;31-20-8-5-17-12-29(22(32)21(17)9-20)14-25(23(33)27-24(34)28-25)19-6-3-16(4-7-19)18-10-26-30(13-18)11-15-1-2-15;20-13-5-3-11(4-6-13)18(16(28)24-17(29)25-18)9-26-8-10-1-2-12(19(21,22)23)7-14(10)15(26)27;1-13(11(22)18-12(23)19-13)6-20-5-7-2-3-8(14(15,16)17)4-9(7)10(20)21/h4-11,14,16H,2-3,12-13,15H2,1H3,(H2,28,29,33,34);3-10,14,16H,1-2,11-13,15H2,(H2,28,29,32,33);3-10,13,15,31H,1-2,11-12,14H2,(H2,27,28,33,34);1-7H,8-9H2,(H2,24,25,28,29);2-4H,5-6H2,1H3,(H2,18,19,22,23)/t26-;2*25-;;/m000../s1
• InChIKey: ZTEJIISNQIDKJR-NKDPWPGYSA-N
• XLogP: 12.47
• TPSA: 458.40 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2125.54
LogP ≤ 5	12.47
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione (CID 162213605) is (5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione is CC1(CN2Cc3ccc(C(F)(F)F)cc3C2=O)NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(CC5CC5)c4)cc3)NC(=O)NC1=O)C2.O=C1NC(=O)C(CN2Cc3ccc(C(F)(F)F)cc3C2=O)(c2ccc(F)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2)(c2ccc(-c3cnn(CC4CC4)c3)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2ccc(-c3cnn(CC4CC4)c3)cc2)N1.

What is the InChIKey of (5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?

The InChIKey is ZTEJIISNQIDKJR-NKDPWPGYSA-N. The full InChI is InChI=1S/C26H25N5O4.C25H24ClN5O2.C25H23N5O4.C19H13F4N3O3.C14H12F3N3O3/c1-35-21-9-6-18-13-30(23(32)22(18)10-21)15-26(24(33)28-25(34)29-26)20-7-4-17(5-8-20)19-11-27-31(14-19)12-16-2-3-16;26-22-8-5-18-12-30(13-19(18)9-22)15-25(23(32)28-24(33)29-25)21-6-3-17(4-7-21)20-10-27-31(14-20)11-16-1-2-16;31-20-8-5-17-12-29(22(32)21(17)9-20)14-25(23(33)27-24(34)28-25)19-6-3-16(4-7-19)18-10-26-30(13-18)11-15-1-2-15;20-13-5-3-11(4-6-13)18(16(28)24-17(29)25-18)9-26-8-10-1-2-12(19(21,22)23)7-14(10)15(26)27;1-13(11(22)18-12(23)19-13)6-20-5-7-2-3-8(14(15,16)17)4-9(7)10(20)21/h4-11,14,16H,2-3,12-13,15H2,1H3,(H2,28,29,33,34);3-10,14,16H,1-2,11-13,15H2,(H2,28,29,32,33);3-10,13,15,31H,1-2,11-12,14H2,(H2,27,28,33,34);1-7H,8-9H2,(H2,24,25,28,29);2-4H,5-6H2,1H3,(H2,18,19,22,23)/t26-;2*25-;;/m000../s1.

What are the key properties of (5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?

(5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 2125.54 g/mol, XLogP of 12.47, 24 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(4-fluorophenyl)-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;5-methyl-5-[[3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 162213605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).