1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole

C79H105N19O10 — CID 157302678

About 1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole

1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole (PubChem CID 157302678) has the molecular formula C79H105N19O10 and a molecular weight of 1480.83 g/mol. Its IUPAC name is 1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole.

Molecular Properties

• Compound Name: 1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole
• PubChem CID: 157302678
• Molecular Formula: C79H105N19O10
• Molecular Weight: 1480.83 g/mol
• Exact Mass: 1479.83
• IUPAC Name: 1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole
• SMILES: CCN1C(=O)N(C)C(=O)C1Oc1ccccc1.CN1CCOCC1.CNC(=O)c1nccn1C.COC(=O)c1cccn1C.COC1C(=O)N(C)C(=O)N1C.Cc1cc(C)n(C)n1.Cc1cn(C)c(-c2ccccc2)n1.Cc1cn(C)c(-c2ccccc2)n1.Cc1nccn1C.Cn1ccc(-c2ccccc2)n1
• InChI: InChI=1S/C12H14N2O3.2C11H12N2.C10H10N2.C7H9NO2.C6H9N3O.C6H10N2O3.C6H10N2.C5H8N2.C5H11NO/c1-3-14-11(10(15)13(2)12(14)16)17-9-7-5-4-6-8-9;2*1-9-8-13(2)11(12-9)10-6-4-3-5-7-10;1-12-8-7-10(11-12)9-5-3-2-4-6-9;1-8-5-3-4-6(8)7(9)10-2;1-7-6(10)5-8-3-4-9(5)2;1-7-4(9)5(11-3)8(2)6(7)10;1-5-4-6(2)8(3)7-5;1-5-6-3-4-7(5)2;1-6-2-4-7-5-3-6/h4-8,11H,3H2,1-2H3;2*3-8H,1-2H3;2-8H,1H3;3-5H,1-2H3;3-4H,1-2H3,(H,7,10);5H,1-3H3;4H,1-3H3;3-4H,1-2H3;2-5H2,1H3
• InChIKey: BCBXHVLPRDWAAD-UHFFFAOYSA-N
• XLogP: 9.97
• TPSA: 279.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.83
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole?

The IUPAC name of 1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole (CID 157302678) is 1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole.

What is the SMILES notation for 1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole?

The canonical SMILES for 1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole is CCN1C(=O)N(C)C(=O)C1Oc1ccccc1.CN1CCOCC1.CNC(=O)c1nccn1C.COC(=O)c1cccn1C.COC1C(=O)N(C)C(=O)N1C.Cc1cc(C)n(C)n1.Cc1cn(C)c(-c2ccccc2)n1.Cc1cn(C)c(-c2ccccc2)n1.Cc1nccn1C.Cn1ccc(-c2ccccc2)n1.

What is the InChIKey of 1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole?

The InChIKey is BCBXHVLPRDWAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.2C11H12N2.C10H10N2.C7H9NO2.C6H9N3O.C6H10N2O3.C6H10N2.C5H8N2.C5H11NO/c1-3-14-11(10(15)13(2)12(14)16)17-9-7-5-4-6-8-9;2*1-9-8-13(2)11(12-9)10-6-4-3-5-7-10;1-12-8-7-10(11-12)9-5-3-2-4-6-9;1-8-5-3-4-6(8)7(9)10-2;1-7-6(10)5-8-3-4-9(5)2;1-7-4(9)5(11-3)8(2)6(7)10;1-5-4-6(2)8(3)7-5;1-5-6-3-4-7(5)2;1-6-2-4-7-5-3-6/h4-8,11H,3H2,1-2H3;2*3-8H,1-2H3;2-8H,1H3;3-5H,1-2H3;3-4H,1-2H3,(H,7,10);5H,1-3H3;4H,1-3H3;3-4H,1-2H3;2-5H2,1H3.

What are the key properties of 1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole?

1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole has a molecular weight of 1480.83 g/mol, XLogP of 9.97, 9 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;5-methoxy-1,3-dimethylimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole is sourced from PubChem (CID 157302678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).