potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide

C80H104KN14NaO19 — CID 159019561

About potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide

potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide (PubChem CID 159019561) has the molecular formula C80H104KN14NaO19 and a molecular weight of 1627.88 g/mol. Its IUPAC name is potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide
• PubChem CID: 159019561
• Molecular Formula: C80H104KN14NaO19
• Molecular Weight: 1627.88 g/mol
• Exact Mass: 1626.71
• IUPAC Name: potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide
• SMILES: CCOC(=O)CC(=O)[O-].CCOC(=O)CC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC3)n(C)c2c1.COC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC3)n(C)c2c1.Cn1[nH]c(-c2ccc3nc(C4(N)CCC4)n(C)c3c2)cc1=O.Cn1c(C2(NC(=O)OC(C)(C)C)CCC2)nc2ccc(C(=O)O)cc21.[K+].[Na+].[OH-]
• InChI: InChI=1S/C22H29N3O5.C19H25N3O4.C18H23N3O4.C16H19N5O.C5H8O4.K.Na.H2O/c1-6-29-18(27)13-17(26)14-8-9-15-16(12-14)25(5)19(23-15)22(10-7-11-22)24-20(28)30-21(2,3)4;1-18(2,3)26-17(24)21-19(9-6-10-19)16-20-13-8-7-12(15(23)25-5)11-14(13)22(16)4;1-17(2,3)25-16(24)20-18(8-5-9-18)15-19-12-7-6-11(14(22)23)10-13(12)21(15)4;1-20-13-8-10(12-9-14(22)21(2)19-12)4-5-11(13)18-15(20)16(17)6-3-7-16;1-2-9-5(8)3-4(6)7;;;/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,24,28);7-8,11H,6,9-10H2,1-5H3,(H,21,24);6-7,10H,5,8-9H2,1-4H3,(H,20,24)(H,22,23);4-5,8-9,19H,3,6-7,17H2,1-2H3;2-3H2,1H3,(H,6,7);;;1H2/q;;;;;2*+1;/p-2
• InChIKey: UHYCIBOHOCGMEX-UHFFFAOYSA-L
• XLogP: 4.18
• TPSA: 453.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1627.88
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide?

The IUPAC name of potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide (CID 159019561) is potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide.

What is the SMILES notation for potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide?

The canonical SMILES for potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide is CCOC(=O)CC(=O)[O-].CCOC(=O)CC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC3)n(C)c2c1.COC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC3)n(C)c2c1.Cn1[nH]c(-c2ccc3nc(C4(N)CCC4)n(C)c3c2)cc1=O.Cn1c(C2(NC(=O)OC(C)(C)C)CCC2)nc2ccc(C(=O)O)cc21.[K+].[Na+].[OH-].

What is the InChIKey of potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide?

The InChIKey is UHYCIBOHOCGMEX-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H29N3O5.C19H25N3O4.C18H23N3O4.C16H19N5O.C5H8O4.K.Na.H2O/c1-6-29-18(27)13-17(26)14-8-9-15-16(12-14)25(5)19(23-15)22(10-7-11-22)24-20(28)30-21(2,3)4;1-18(2,3)26-17(24)21-19(9-6-10-19)16-20-13-8-7-12(15(23)25-5)11-14(13)22(16)4;1-17(2,3)25-16(24)20-18(8-5-9-18)15-19-12-7-6-11(14(22)23)10-13(12)21(15)4;1-20-13-8-10(12-9-14(22)21(2)19-12)4-5-11(13)18-15(20)16(17)6-3-7-16;1-2-9-5(8)3-4(6)7;;;/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,24,28);7-8,11H,6,9-10H2,1-5H3,(H,21,24);6-7,10H,5,8-9H2,1-4H3,(H,20,24)(H,22,23);4-5,8-9,19H,3,6-7,17H2,1-2H3;2-3H2,1H3,(H,6,7);;;1H2/q;;;;;2*+1;/p-2.

What are the key properties of potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide?

potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide has a molecular weight of 1627.88 g/mol, XLogP of 4.18, 17 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide is sourced from PubChem (CID 159019561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).