(5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione

C101H84F2N34O20 — CID 158622396

About (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione

(5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione (PubChem CID 158622396) has the molecular formula C101H84F2N34O20 and a molecular weight of 2132.00 g/mol. Its IUPAC name is (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione
• PubChem CID: 158622396
• Molecular Formula: C101H84F2N34O20
• Molecular Weight: 2132.00 g/mol
• Exact Mass: 2130.66
• IUPAC Name: (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn(-c4ccc(F)cc4)nn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn(-c4cccnc4)nn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn(-c4cnccn4)nn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(-c4ccc(F)cc4)n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(-c4cccnc4)n3)NC(=O)NC1=O)C2
• InChI: InChI=1S/2C21H17FN6O4.2C20H17N7O4.C19H16N8O4/c1-32-15-7-2-12-10-27(18(29)16(12)8-15)11-21(19(30)24-20(31)25-21)17-9-23-28(26-17)14-5-3-13(22)4-6-14;1-32-15-7-2-12-9-27(18(29)16(12)8-15)11-21(19(30)23-20(31)24-21)17-10-28(26-25-17)14-5-3-13(22)4-6-14;1-31-14-5-4-12-10-26(17(28)15(12)7-14)11-20(18(29)23-19(30)24-20)16-9-22-27(25-16)13-3-2-6-21-8-13;1-31-14-5-4-12-9-26(17(28)15(12)7-14)11-20(18(29)22-19(30)23-20)16-10-27(25-24-16)13-3-2-6-21-8-13;1-31-12-3-2-11-8-26(16(28)13(11)6-12)10-19(17(29)22-18(30)23-19)14-9-27(25-24-14)15-7-20-4-5-21-15/h2-9H,10-11H2,1H3,(H2,24,25,30,31);2-8,10H,9,11H2,1H3,(H2,23,24,30,31);2-9H,10-11H2,1H3,(H2,23,24,29,30);2-8,10H,9,11H2,1H3,(H2,22,23,29,30);2-7,9H,8,10H2,1H3,(H2,22,23,29,30)/t2*21-;2*20-;19-/m00000/s1
• InChIKey: HYDZHVXHIJUTDQ-UMBTZVOVSA-N
• XLogP: 2.69
• TPSA: 643.81 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2132.00
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione (CID 158622396) is (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn(-c4ccc(F)cc4)nn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn(-c4cccnc4)nn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn(-c4cnccn4)nn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(-c4ccc(F)cc4)n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(-c4cccnc4)n3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione?

The InChIKey is HYDZHVXHIJUTDQ-UMBTZVOVSA-N. The full InChI is InChI=1S/2C21H17FN6O4.2C20H17N7O4.C19H16N8O4/c1-32-15-7-2-12-10-27(18(29)16(12)8-15)11-21(19(30)24-20(31)25-21)17-9-23-28(26-17)14-5-3-13(22)4-6-14;1-32-15-7-2-12-9-27(18(29)16(12)8-15)11-21(19(30)23-20(31)24-21)17-10-28(26-25-17)14-5-3-13(22)4-6-14;1-31-14-5-4-12-10-26(17(28)15(12)7-14)11-20(18(29)23-19(30)24-20)16-9-22-27(25-16)13-3-2-6-21-8-13;1-31-14-5-4-12-9-26(17(28)15(12)7-14)11-20(18(29)22-19(30)23-20)16-10-27(25-24-16)13-3-2-6-21-8-13;1-31-12-3-2-11-8-26(16(28)13(11)6-12)10-19(17(29)22-18(30)23-19)14-9-27(25-24-14)15-7-20-4-5-21-15/h2-9H,10-11H2,1H3,(H2,24,25,30,31);2-8,10H,9,11H2,1H3,(H2,23,24,30,31);2-9H,10-11H2,1H3,(H2,23,24,29,30);2-8,10H,9,11H2,1H3,(H2,22,23,29,30);2-7,9H,8,10H2,1H3,(H2,22,23,29,30)/t2*21-;2*20-;19-/m00000/s1.

What are the key properties of (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione?

(5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 2132.00 g/mol, XLogP of 2.69, 25 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[2-(4-fluorophenyl)triazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 158622396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).