(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione

C92H83Cl8FIN21O14 — CID 158193102

About (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 158193102) has the molecular formula C92H83Cl8FIN21O14 and a molecular weight of 2136.33 g/mol. Its IUPAC name is (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 158193102
• Molecular Formula: C92H83Cl8FIN21O14
• Molecular Weight: 2136.33 g/mol
• Exact Mass: 2131.30
• IUPAC Name: (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
• SMILES: CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)c(Cl)ccc23)C1=O.CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C1=O.CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cc(Cl)cc23)C1=O.CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)ccc(Cl)c23)C1=O.CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O.CN1C(=O)N[C@H](Cc2c[nH]c3c(I)cccc23)C1=O.Cc1ccc2[nH]cc(C[C@H]3NC(=O)N(C)C3=O)c2c1
• InChI: InChI=1S/C14H15N3O2.3C13H11Cl2N3O2.C13H11ClFN3O2.C13H12ClN3O2.C13H12IN3O2/c1-8-3-4-11-10(5-8)9(7-15-11)6-12-13(18)17(2)14(19)16-12;1-18-12(19)10(17-13(18)20)2-6-5-16-11-8(6)3-7(14)4-9(11)15;1-18-12(19)9(17-13(18)20)4-6-5-16-11-8(15)3-2-7(14)10(6)11;1-18-12(19)9(17-13(18)20)4-6-5-16-11-7(6)2-3-8(14)10(11)15;1-18-12(19)9(17-13(18)20)4-6-5-16-11-7(6)2-3-8(15)10(11)14;2*1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h3-5,7,12,15H,6H2,1-2H3,(H,16,19);3-5,10,16H,2H2,1H3,(H,17,20);3*2-3,5,9,16H,4H2,1H3,(H,17,20);2*2-4,6,10,15H,5H2,1H3,(H,16,19)/t12-;10-;3*9-;2*10-/m1111111/s1
• InChIKey: FZZWGKLUSXIOOE-IEMIJZIPSA-N
• XLogP: 15.10
• TPSA: 456.40 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2136.33
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione (CID 158193102) is (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione is CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)c(Cl)ccc23)C1=O.CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C1=O.CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cc(Cl)cc23)C1=O.CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)ccc(Cl)c23)C1=O.CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O.CN1C(=O)N[C@H](Cc2c[nH]c3c(I)cccc23)C1=O.Cc1ccc2[nH]cc(C[C@H]3NC(=O)N(C)C3=O)c2c1.

What is the InChIKey of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is FZZWGKLUSXIOOE-IEMIJZIPSA-N. The full InChI is InChI=1S/C14H15N3O2.3C13H11Cl2N3O2.C13H11ClFN3O2.C13H12ClN3O2.C13H12IN3O2/c1-8-3-4-11-10(5-8)9(7-15-11)6-12-13(18)17(2)14(19)16-12;1-18-12(19)10(17-13(18)20)2-6-5-16-11-8(6)3-7(14)4-9(11)15;1-18-12(19)9(17-13(18)20)4-6-5-16-11-8(15)3-2-7(14)10(6)11;1-18-12(19)9(17-13(18)20)4-6-5-16-11-7(6)2-3-8(14)10(11)15;1-18-12(19)9(17-13(18)20)4-6-5-16-11-7(6)2-3-8(15)10(11)14;2*1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h3-5,7,12,15H,6H2,1-2H3,(H,16,19);3-5,10,16H,2H2,1H3,(H,17,20);3*2-3,5,9,16H,4H2,1H3,(H,17,20);2*2-4,6,10,15H,5H2,1H3,(H,16,19)/t12-;10-;3*9-;2*10-/m1111111/s1.

What are the key properties of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?

(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 2136.33 g/mol, XLogP of 15.10, 14 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(5,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-iodo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158193102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).