1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione

C117H117ClF2N30O22 — CID 159647067

About 1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione

1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione (PubChem CID 159647067) has the molecular formula C117H117ClF2N30O22 and a molecular weight of 2368.86 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
• PubChem CID: 159647067
• Molecular Formula: C117H117ClF2N30O22
• Molecular Weight: 2368.86 g/mol
• Exact Mass: 2366.86
• IUPAC Name: 1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc(CCN2CC(=O)N(c3cnn(Cc4cnoc4C)c3)C2=O)cc1OC.COc1cccc(CCN2CC(=O)N(c3cnn(Cc4cnoc4C)c3)C2=O)c1.Cc1oncc1Cn1cc(N2C(=O)CN(CCc3ccc(F)cc3)C2=O)cn1.Cc1oncc1Cn1cc(N2C(=O)CN(CCc3ccc(O)cc3)C2=O)cn1.Cc1oncc1Cn1cc(N2C(=O)CN(CCc3cccc(Cl)c3)C2=O)cn1.Cc1oncc1Cn1cc(N2C(=O)CN(CCc3ccccc3F)C2=O)cn1
• InChI: InChI=1S/C21H23N5O5.C20H21N5O4.C19H18ClN5O3.2C19H18FN5O3.C19H19N5O4/c1-14-16(9-23-31-14)11-25-12-17(10-22-25)26-20(27)13-24(21(26)28)7-6-15-4-5-18(29-2)19(8-15)30-3;1-14-16(9-22-29-14)11-24-12-17(10-21-24)25-19(26)13-23(20(25)27)7-6-15-4-3-5-18(8-15)28-2;1-13-15(8-22-28-13)10-24-11-17(9-21-24)25-18(26)12-23(19(25)27)6-5-14-3-2-4-16(20)7-14;1-13-15(8-22-28-13)10-24-11-17(9-21-24)25-18(26)12-23(19(25)27)7-6-14-2-4-16(20)5-3-14;1-13-15(8-22-28-13)10-24-11-16(9-21-24)25-18(26)12-23(19(25)27)7-6-14-4-2-3-5-17(14)20;1-13-15(8-21-28-13)10-23-11-16(9-20-23)24-18(26)12-22(19(24)27)7-6-14-2-4-17(25)5-3-14/h4-5,8-10,12H,6-7,11,13H2,1-3H3;3-5,8-10,12H,6-7,11,13H2,1-2H3;2-4,7-9,11H,5-6,10,12H2,1H3;2*2-5,8-9,11H,6-7,10,12H2,1H3;2-5,8-9,11,25H,6-7,10,12H2,1H3
• InChIKey: MRBXRNXFVSQFIL-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 554.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 40
• Rotatable Bonds: 39
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.86
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?

The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione (CID 159647067) is 1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione.

What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?

The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione is COc1ccc(CCN2CC(=O)N(c3cnn(Cc4cnoc4C)c3)C2=O)cc1OC.COc1cccc(CCN2CC(=O)N(c3cnn(Cc4cnoc4C)c3)C2=O)c1.Cc1oncc1Cn1cc(N2C(=O)CN(CCc3ccc(F)cc3)C2=O)cn1.Cc1oncc1Cn1cc(N2C(=O)CN(CCc3ccc(O)cc3)C2=O)cn1.Cc1oncc1Cn1cc(N2C(=O)CN(CCc3cccc(Cl)c3)C2=O)cn1.Cc1oncc1Cn1cc(N2C(=O)CN(CCc3ccccc3F)C2=O)cn1.

What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?

The InChIKey is MRBXRNXFVSQFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5.C20H21N5O4.C19H18ClN5O3.2C19H18FN5O3.C19H19N5O4/c1-14-16(9-23-31-14)11-25-12-17(10-22-25)26-20(27)13-24(21(26)28)7-6-15-4-5-18(29-2)19(8-15)30-3;1-14-16(9-22-29-14)11-24-12-17(10-21-24)25-19(26)13-23(20(25)27)7-6-15-4-3-5-18(8-15)28-2;1-13-15(8-22-28-13)10-24-11-17(9-21-24)25-18(26)12-23(19(25)27)6-5-14-3-2-4-16(20)7-14;1-13-15(8-22-28-13)10-24-11-17(9-21-24)25-18(26)12-23(19(25)27)7-6-14-2-4-16(20)5-3-14;1-13-15(8-22-28-13)10-24-11-16(9-21-24)25-18(26)12-23(19(25)27)7-6-14-4-2-3-5-17(14)20;1-13-15(8-21-28-13)10-23-11-16(9-20-23)24-18(26)12-22(19(24)27)7-6-14-2-4-17(25)5-3-14/h4-5,8-10,12H,6-7,11,13H2,1-3H3;3-5,8-10,12H,6-7,11,13H2,1-2H3;2-4,7-9,11H,5-6,10,12H2,1H3;2*2-5,8-9,11H,6-7,10,12H2,1H3;2-5,8-9,11,25H,6-7,10,12H2,1H3.

What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?

1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione has a molecular weight of 2368.86 g/mol, XLogP of 14.10, 39 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3-chlorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(2-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-fluorophenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(4-hydroxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione;1-[2-(3-methoxyphenyl)ethyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 159647067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).