(5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione

C104H84F3N23O17 — CID 158027720

About (5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione

(5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 158027720) has the molecular formula C104H84F3N23O17 and a molecular weight of 1984.95 g/mol. Its IUPAC name is (5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 158027720
• Molecular Formula: C104H84F3N23O17
• Molecular Weight: 1984.95 g/mol
• Exact Mass: 1983.64
• IUPAC Name: (5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5cnoc5c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccc4-c4nnn(C)n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccc4-c4nnnn4C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nccc(C(F)(F)F)n4)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/2C27H23N7O4.C26H20N4O5.C24H18F3N5O4/c1-33-23(30-31-32-33)21-6-4-3-5-20(21)16-7-10-18(11-8-16)27(25(36)28-26(37)29-27)15-34-14-17-9-12-19(38-2)13-22(17)24(34)35;1-33-31-23(30-32-33)21-6-4-3-5-20(21)16-7-10-18(11-8-16)27(25(36)28-26(37)29-27)15-34-14-17-9-12-19(38-2)13-22(17)24(34)35;1-34-20-9-6-18-13-30(23(31)21(18)11-20)14-26(24(32)28-25(33)29-26)19-7-4-15(5-8-19)16-2-3-17-12-27-35-22(17)10-16;1-36-16-7-4-14-11-32(20(33)17(14)10-16)12-23(21(34)30-22(35)31-23)15-5-2-13(3-6-15)19-28-9-8-18(29-19)24(25,26)27/h2*3-13H,14-15H2,1-2H3,(H2,28,29,36,37);2-12H,13-14H2,1H3,(H2,28,29,32,33);2-10H,11-12H2,1H3,(H2,30,31,34,35)/t2*27-;26-;23-/m0000/s1
• InChIKey: FGUKVGAQRVCQSX-RBOJJKJCSA-N
• XLogP: 10.54
• TPSA: 489.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1984.95
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione (CID 158027720) is (5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5cnoc5c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccc4-c4nnn(C)n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccc4-c4nnnn4C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nccc(C(F)(F)F)n4)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione?

The InChIKey is FGUKVGAQRVCQSX-RBOJJKJCSA-N. The full InChI is InChI=1S/2C27H23N7O4.C26H20N4O5.C24H18F3N5O4/c1-33-23(30-31-32-33)21-6-4-3-5-20(21)16-7-10-18(11-8-16)27(25(36)28-26(37)29-27)15-34-14-17-9-12-19(38-2)13-22(17)24(34)35;1-33-31-23(30-32-33)21-6-4-3-5-20(21)16-7-10-18(11-8-16)27(25(36)28-26(37)29-27)15-34-14-17-9-12-19(38-2)13-22(17)24(34)35;1-34-20-9-6-18-13-30(23(31)21(18)11-20)14-26(24(32)28-25(33)29-26)19-7-4-15(5-8-19)16-2-3-17-12-27-35-22(17)10-16;1-36-16-7-4-14-11-32(20(33)17(14)10-16)12-23(21(34)30-22(35)31-23)15-5-2-13(3-6-15)19-28-9-8-18(29-19)24(25,26)27/h2*3-13H,14-15H2,1-2H3,(H2,28,29,36,37);2-12H,13-14H2,1H3,(H2,28,29,32,33);2-10H,11-12H2,1H3,(H2,30,31,34,35)/t2*27-;26-;23-/m0000/s1.

What are the key properties of (5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione?

(5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 1984.95 g/mol, XLogP of 10.54, 22 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-(1,2-benzoxazol-6-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-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158027720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).