carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C113H129F2N23O12 — CID 158693659

About carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide

carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 158693659) has the molecular formula C113H129F2N23O12 and a molecular weight of 2039.42 g/mol. Its IUPAC name is carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 158693659
• Molecular Formula: C113H129F2N23O12
• Molecular Weight: 2039.42 g/mol
• Exact Mass: 2038.02
• IUPAC Name: carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2cccc(CO)c2n1C1CCC1.Cc1cccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.O=C=O.[C-]#[N+]c1ccc2nc(NC(=O)C(C)(C)C(C)O)n(C3CCC3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(-c3cc(C)no3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)O)n(-c3ccc(F)cc3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)[C@@H](C)C(C)(C)C)n(-c3ccc(F)cc3)c2c1
• InChI: InChI=1S/C21H21FN4O.C19H17FN4O2.C18H19N5O2.C18H22N4O2.C18H25N3O2.C18H25N3O.CO2/c1-13(21(2,3)4)19(27)25-20-24-17-11-8-15(23-5)12-18(17)26(20)16-9-6-14(22)7-10-16;1-19(2,26)11-17(25)23-18-22-15-9-6-13(21-3)10-16(15)24(18)14-7-4-12(20)5-8-14;1-11-8-16(25-22-11)23-14-9-12(19-5)6-7-13(14)20-17(23)21-15(24)10-18(2,3)4;1-11(23)18(2,3)16(24)21-17-20-14-9-8-12(19-4)10-15(14)22(17)13-6-5-7-13;1-18(2,3)10-15(23)20-17-19-14-9-4-6-12(11-22)16(14)21(17)13-7-5-8-13;1-12-7-5-10-14-16(12)21(13-8-6-9-13)17(19-14)20-15(22)11-18(2,3)4;2-1-3/h6-13H,1-4H3,(H,24,25,27);4-10,26H,11H2,1-2H3,(H,22,23,25);6-9H,10H2,1-4H3,(H,20,21,24);8-11,13,23H,5-7H2,1-3H3,(H,20,21,24);4,6,9,13,22H,5,7-8,10-11H2,1-3H3,(H,19,20,23);5,7,10,13H,6,8-9,11H2,1-4H3,(H,19,20,22);/t13-;;;;;;/m1....../s1
• InChIKey: IGQXBTJOUSLTDU-UQONAEDOSA-N
• XLogP: 24.55
• TPSA: 419.82 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2039.42
LogP ≤ 5	24.55
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 158693659) is carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2cccc(CO)c2n1C1CCC1.Cc1cccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.O=C=O.[C-]#[N+]c1ccc2nc(NC(=O)C(C)(C)C(C)O)n(C3CCC3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(-c3cc(C)no3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)O)n(-c3ccc(F)cc3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)[C@@H](C)C(C)(C)C)n(-c3ccc(F)cc3)c2c1.

What is the InChIKey of carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The InChIKey is IGQXBTJOUSLTDU-UQONAEDOSA-N. The full InChI is InChI=1S/C21H21FN4O.C19H17FN4O2.C18H19N5O2.C18H22N4O2.C18H25N3O2.C18H25N3O.CO2/c1-13(21(2,3)4)19(27)25-20-24-17-11-8-15(23-5)12-18(17)26(20)16-9-6-14(22)7-10-16;1-19(2,26)11-17(25)23-18-22-15-9-6-13(21-3)10-16(15)24(18)14-7-4-12(20)5-8-14;1-11-8-16(25-22-11)23-14-9-12(19-5)6-7-13(14)20-17(23)21-15(24)10-18(2,3)4;1-11(23)18(2,3)16(24)21-17-20-14-9-8-12(19-4)10-15(14)22(17)13-6-5-7-13;1-18(2,3)10-15(23)20-17-19-14-9-4-6-12(11-22)16(14)21(17)13-7-5-8-13;1-12-7-5-10-14-16(12)21(13-8-6-9-13)17(19-14)20-15(22)11-18(2,3)4;2-1-3/h6-13H,1-4H3,(H,24,25,27);4-10,26H,11H2,1-2H3,(H,22,23,25);6-9H,10H2,1-4H3,(H,20,21,24);8-11,13,23H,5-7H2,1-3H3,(H,20,21,24);4,6,9,13,22H,5,7-8,10-11H2,1-3H3,(H,19,20,23);5,7,10,13H,6,8-9,11H2,1-4H3,(H,19,20,22);/t13-;;;;;;/m1....../s1.

What are the key properties of carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 2039.42 g/mol, XLogP of 24.55, 21 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;N-[1-cyclobutyl-7-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-2,2-dimethylbutanamide;N-(1-cyclobutyl-7-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(2S)-N-[1-(4-fluorophenyl)-6-isocyanobenzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 158693659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).