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

C82H111N19O10 — CID 157310063

IUPAC5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole
SMILESCCCCOC1C(=O)N(C)C(=O)N1C.CCN1C(=O)N(C)C(=O)C1Oc1ccccc1.CN1CCOCC1.CNC(=O)c1nccn1C.COC(=O)c1cccn1C.Cc1cc(C)n(C)n1.Cc1cn(C)c(-c2ccccc2)n1.Cc1cn(C)c(-c2ccccc2)n1.Cc1nccn1C.Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C12H14N2O3.2C11H12N2.C10H10N2.C9H16N2O3.C7H9NO2.C6H9N3O.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;1-4-5-6-14-8-7(12)10(2)9(13)11(8)3;1-8-5-3-4-6(8)7(9)10-2;1-7-6(10)5-8-3-4-9(5)2;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;8H,4-6H2,1-3H3;3-5H,1-2H3;3-4H,1-2H3,(H,7,10);4H,1-3H3;3-4H,1-2H3;2-5H2,1H3
InChIKeyBCXXUSXMZHCIKX-UHFFFAOYSA-N
MW1522.91 g/mol
LogP11.14
Rot. Bonds12

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

5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole (PubChem CID 157310063) has the molecular formula C82H111N19O10 and a molecular weight of 1522.91 g/mol. Its IUPAC name is 5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole
PubChem CID157310063
Molecular FormulaC82H111N19O10
Molecular Weight1522.91 g/mol
Exact Mass1521.88
IUPAC Name5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole
SMILESCCCCOC1C(=O)N(C)C(=O)N1C.CCN1C(=O)N(C)C(=O)C1Oc1ccccc1.CN1CCOCC1.CNC(=O)c1nccn1C.COC(=O)c1cccn1C.Cc1cc(C)n(C)n1.Cc1cn(C)c(-c2ccccc2)n1.Cc1cn(C)c(-c2ccccc2)n1.Cc1nccn1C.Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C12H14N2O3.2C11H12N2.C10H10N2.C9H16N2O3.C7H9NO2.C6H9N3O.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;1-4-5-6-14-8-7(12)10(2)9(13)11(8)3;1-8-5-3-4-6(8)7(9)10-2;1-7-6(10)5-8-3-4-9(5)2;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;8H,4-6H2,1-3H3;3-5H,1-2H3;3-4H,1-2H3,(H,7,10);4H,1-3H3;3-4H,1-2H3;2-5H2,1H3
InChIKeyBCXXUSXMZHCIKX-UHFFFAOYSA-N
XLogP11.14
TPSA279.42 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001522.91
LogP ≤ 511.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole?
The IUPAC name of 5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole (CID 157310063) is 5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole.
What is the SMILES notation for 5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole?
The canonical SMILES for 5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole is CCCCOC1C(=O)N(C)C(=O)N1C.CCN1C(=O)N(C)C(=O)C1Oc1ccccc1.CN1CCOCC1.CNC(=O)c1nccn1C.COC(=O)c1cccn1C.Cc1cc(C)n(C)n1.Cc1cn(C)c(-c2ccccc2)n1.Cc1cn(C)c(-c2ccccc2)n1.Cc1nccn1C.Cn1ccc(-c2ccccc2)n1.
What is the InChIKey of 5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole?
The InChIKey is BCXXUSXMZHCIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.2C11H12N2.C10H10N2.C9H16N2O3.C7H9NO2.C6H9N3O.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;1-4-5-6-14-8-7(12)10(2)9(13)11(8)3;1-8-5-3-4-6(8)7(9)10-2;1-7-6(10)5-8-3-4-9(5)2;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;8H,4-6H2,1-3H3;3-5H,1-2H3;3-4H,1-2H3,(H,7,10);4H,1-3H3;3-4H,1-2H3;2-5H2,1H3.
What are the key properties of 5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole?
5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole has a molecular weight of 1522.91 g/mol, XLogP of 11.14, 12 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-1,3-dimethylimidazolidine-2,4-dione;1,2-dimethylimidazole;N,1-dimethylimidazole-2-carboxamide;bis(1,4-dimethyl-2-phenylimidazole);1-ethyl-3-methyl-5-phenoxyimidazolidine-2,4-dione;methyl 1-methylpyrrole-2-carboxylate;4-methylmorpholine;1-methyl-3-phenylpyrazole;1,3,5-trimethylpyrazole is sourced from PubChem (CID 157310063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).