5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione

C116H108N28O25S2 — CID 157199493

About 5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione

5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione (PubChem CID 157199493) has the molecular formula C116H108N28O25S2 and a molecular weight of 2358.44 g/mol. Its IUPAC name is 5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione
• PubChem CID: 157199493
• Molecular Formula: C116H108N28O25S2
• Molecular Weight: 2358.44 g/mol
• Exact Mass: 2356.75
• IUPAC Name: 5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3ccc(-c4ccccc4CCN)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnccn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3csc(N)n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3csc(NC(C)C)n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(c3cnccn3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C27H26N4O4.C20H16N4O5.C19H21N5O4S.2C17H15N5O4.C16H15N5O4S/c1-35-21-11-8-19-15-31(24(32)23(19)14-21)16-27(25(33)29-26(34)30-27)20-9-6-18(7-10-20)22-5-3-2-4-17(22)12-13-28;1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16;1-10(2)20-18-21-14(8-29-18)19(16(26)22-17(27)23-19)9-24-7-11-4-5-12(28-3)6-13(11)15(24)25;2*1-26-11-3-2-10-8-22(14(23)12(10)6-11)9-17(13-7-18-4-5-19-13)15(24)20-16(25)21-17;1-25-9-3-2-8-5-21(12(22)10(8)4-9)7-16(11-6-26-14(17)18-11)13(23)19-15(24)20-16/h2-11,14H,12-13,15-16,28H2,1H3,(H2,29,30,33,34);2-8H,9-10H2,1H3,(H2,22,23,26,27);4-6,8,10H,7,9H2,1-3H3,(H,20,21)(H2,22,23,26,27);2*2-7H,8-9H2,1H3,(H2,20,21,24,25);2-4,6H,5,7H2,1H3,(H2,17,18)(H2,19,20,23,24)/t;20-;19-;2*17-;16-/m.00100/s1
• InChIKey: AQQDEIJWGFRBKJ-GNUGFRGMSA-N
• XLogP: 6.52
• TPSA: 693.88 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2358.44
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione?

The IUPAC name of 5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione (CID 157199493) is 5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione.

What is the SMILES notation for 5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione?

The canonical SMILES for 5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3ccc(-c4ccccc4CCN)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnccn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3csc(N)n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3csc(NC(C)C)n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(c3cnccn3)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione?

The InChIKey is AQQDEIJWGFRBKJ-GNUGFRGMSA-N. The full InChI is InChI=1S/C27H26N4O4.C20H16N4O5.C19H21N5O4S.2C17H15N5O4.C16H15N5O4S/c1-35-21-11-8-19-15-31(24(32)23(19)14-21)16-27(25(33)29-26(34)30-27)20-9-6-18(7-10-20)22-5-3-2-4-17(22)12-13-28;1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16;1-10(2)20-18-21-14(8-29-18)19(16(26)22-17(27)23-19)9-24-7-11-4-5-12(28-3)6-13(11)15(24)25;2*1-26-11-3-2-10-8-22(14(23)12(10)6-11)9-17(13-7-18-4-5-19-13)15(24)20-16(25)21-17;1-25-9-3-2-8-5-21(12(22)10(8)4-9)7-16(11-6-26-14(17)18-11)13(23)19-15(24)20-16/h2-11,14H,12-13,15-16,28H2,1H3,(H2,29,30,33,34);2-8H,9-10H2,1H3,(H2,22,23,26,27);4-6,8,10H,7,9H2,1-3H3,(H,20,21)(H2,22,23,26,27);2*2-7H,8-9H2,1H3,(H2,20,21,24,25);2-4,6H,5,7H2,1H3,(H2,17,18)(H2,19,20,23,24)/t;20-;19-;2*17-;16-/m.00100/s1.

What are the key properties of 5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione?

5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione has a molecular weight of 2358.44 g/mol, XLogP of 6.52, 29 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-amino-1,3-thiazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-c]pyridin-2-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-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 157199493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).