2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate

C115H145BBr3N19O16Si2 — CID 176537180

About 2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate

2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate (PubChem CID 176537180) has the molecular formula C115H145BBr3N19O16Si2 and a molecular weight of 2356.24 g/mol. Its IUPAC name is 2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate.

Molecular Properties

• Compound Name: 2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate
• PubChem CID: 176537180
• Molecular Formula: C115H145BBr3N19O16Si2
• Molecular Weight: 2356.24 g/mol
• Exact Mass: 2351.83
• IUPAC Name: 2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate
• SMILES: CC1CCC(c2ccc(-c3ccc(-c4ncc(C(=O)N(C)C)[nH]4)cn3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc(-c4nc(C(=O)N(C)C)cn4COCC[Si](C)(C)C)cn3)cc2)CC1.CN(C)C(=O)c1cn(COCC[Si](C)(C)C)c(-c2ccc(Br)nc2)n1.CN(C)C(=O)c1cnc(-c2ccc(Br)nc2)[nH]1.COC(=O)CC1CCC(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.O=C(O)c1cnc(-c2ccc(Br)nc2)[nH]1.O=C=O.O=C=O
• InChI: InChI=1S/C31H44N4O2Si.C24H28N4O.C21H31BO4.C17H25BrN4O2Si.C11H11BrN4O.C9H6BrN3O2.2CO2/c1-7-23-8-10-24(11-9-23)25-12-14-26(15-13-25)28-17-16-27(20-32-28)30-33-29(31(36)34(2)3)21-35(30)22-37-18-19-38(4,5)6;1-16-4-6-17(7-5-16)18-8-10-19(11-9-18)21-13-12-20(14-25-21)23-26-15-22(27-23)24(29)28(2)3;1-20(2)21(3,4)26-22(25-20)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-19(23)24-5;1-21(2)17(23)14-11-22(12-24-8-9-25(3,4)5)16(20-14)13-6-7-15(18)19-10-13;1-16(2)11(17)8-6-14-10(15-8)7-3-4-9(12)13-5-7;10-7-2-1-5(3-11-7)8-12-4-6(13-8)9(14)15;2*2-1-3/h12-17,20-21,23-24H,7-11,18-19,22H2,1-6H3;8-17H,4-7H2,1-3H3,(H,26,27);10-13,15-16H,6-9,14H2,1-5H3;6-7,10-11H,8-9,12H2,1-5H3;3-6H,1-2H3,(H,14,15);1-4H,(H,12,13)(H,14,15)
• InChIKey: JGONECMUBANXSZ-UHFFFAOYSA-N
• XLogP: 22.69
• TPSA: 436.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2356.24
LogP ≤ 5	22.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate?

The IUPAC name of 2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate (CID 176537180) is 2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate.

What is the SMILES notation for 2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate?

The canonical SMILES for 2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate is CC1CCC(c2ccc(-c3ccc(-c4ncc(C(=O)N(C)C)[nH]4)cn3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc(-c4nc(C(=O)N(C)C)cn4COCC[Si](C)(C)C)cn3)cc2)CC1.CN(C)C(=O)c1cn(COCC[Si](C)(C)C)c(-c2ccc(Br)nc2)n1.CN(C)C(=O)c1cnc(-c2ccc(Br)nc2)[nH]1.COC(=O)CC1CCC(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.O=C(O)c1cnc(-c2ccc(Br)nc2)[nH]1.O=C=O.O=C=O.

What is the InChIKey of 2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate?

The InChIKey is JGONECMUBANXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4O2Si.C24H28N4O.C21H31BO4.C17H25BrN4O2Si.C11H11BrN4O.C9H6BrN3O2.2CO2/c1-7-23-8-10-24(11-9-23)25-12-14-26(15-13-25)28-17-16-27(20-32-28)30-33-29(31(36)34(2)3)21-35(30)22-37-18-19-38(4,5)6;1-16-4-6-17(7-5-16)18-8-10-19(11-9-18)21-13-12-20(14-25-21)23-26-15-22(27-23)24(29)28(2)3;1-20(2)21(3,4)26-22(25-20)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-19(23)24-5;1-21(2)17(23)14-11-22(12-24-8-9-25(3,4)5)16(20-14)13-6-7-15(18)19-10-13;1-16(2)11(17)8-6-14-10(15-8)7-3-4-9(12)13-5-7;10-7-2-1-5(3-11-7)8-12-4-6(13-8)9(14)15;2*2-1-3/h12-17,20-21,23-24H,7-11,18-19,22H2,1-6H3;8-17H,4-7H2,1-3H3,(H,26,27);10-13,15-16H,6-9,14H2,1-5H3;6-7,10-11H,8-9,12H2,1-5H3;3-6H,1-2H3,(H,14,15);1-4H,(H,12,13)(H,14,15);;.

What are the key properties of 2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate?

2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate has a molecular weight of 2356.24 g/mol, XLogP of 22.69, 29 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1H-imidazole-5-carboxamide;2-(6-bromo-3-pyridinyl)-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylic acid;bis(carbon dioxide);N,N-dimethyl-2-[6-[4-(4-methylcyclohexyl)phenyl]-3-pyridinyl]-1H-imidazole-5-carboxamide;2-[6-[4-(4-ethylcyclohexyl)phenyl]-3-pyridinyl]-N,N-dimethyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate is sourced from PubChem (CID 176537180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).