3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate

C109H128Br6ClF7N36O11 — CID 161241686

IUPAC3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate
SMILESCCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](C)c2ccc(C(F)(F)F)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](C)c2ccc(Cl)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](C)c2ccc(F)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](C)c2ccc(OC(F)(F)F)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(C(=O)O)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(C(=O)OC)cc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C19H21BrN6O3.C18H19BrN6O3.C17H16BrF3N6O2.C17H16BrF3N6O.C16H16BrClN6O.C16H16BrFN6O.6CH3/c1-4-25-12-7-6-11(19(28)29-3)8-13(12)26(5-2)15(25)10-23-18(27)16-17(21)22-9-14(20)24-16;1-3-24-11-6-5-10(18(27)28)7-12(11)25(4-2)14(24)9-22-17(26)15-16(20)21-8-13(19)23-15;1-3-27-11-6-9(29-17(19,20)21)4-5-10(11)26(2)13(27)8-24-16(28)14-15(22)23-7-12(18)25-14;1-3-27-11-6-9(17(19,20)21)4-5-10(11)26(2)13(27)8-24-16(28)14-15(22)23-7-12(18)25-14;2*1-3-24-11-6-9(18)4-5-10(11)23(2)13(24)8-21-16(25)14-15(19)20-7-12(17)22-14;;;;;;/h6-9H,4-5,10H2,1-3H3,(H2-,21,22,23,27);5-8H,3-4,9H2,1-2H3,(H3-,20,21,22,26,27,28);4-7H,3,8H2,1-2H3,(H2-,22,23,24,28);4-7H,3,8H2,1-2H3,(H2-,22,23,24,28);2*4-7H,3,8H2,1-2H3,(H2-,19,20,21,25);6*1H3/q;;;;;;6*-1/p+6
InChIKeyVACAYPSTLTXWEM-UHFFFAOYSA-T
MW2766.33 g/mol
LogP15.16
Rot. Bonds29

About 3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate

3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate (PubChem CID 161241686) has the molecular formula C109H128Br6ClF7N36O11 and a molecular weight of 2766.33 g/mol. Its IUPAC name is 3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate.

Molecular Properties

Compound Name3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate
PubChem CID161241686
Molecular FormulaC109H128Br6ClF7N36O11
Molecular Weight2766.33 g/mol
Exact Mass2758.52
IUPAC Name3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate
SMILESCCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](C)c2ccc(C(F)(F)F)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](C)c2ccc(Cl)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](C)c2ccc(F)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](C)c2ccc(OC(F)(F)F)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(C(=O)O)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(C(=O)OC)cc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C19H21BrN6O3.C18H19BrN6O3.C17H16BrF3N6O2.C17H16BrF3N6O.C16H16BrClN6O.C16H16BrFN6O.6CH3/c1-4-25-12-7-6-11(19(28)29-3)8-13(12)26(5-2)15(25)10-23-18(27)16-17(21)22-9-14(20)24-16;1-3-24-11-6-5-10(18(27)28)7-12(11)25(4-2)14(24)9-22-17(26)15-16(20)21-8-13(19)23-15;1-3-27-11-6-9(29-17(19,20)21)4-5-10(11)26(2)13(27)8-24-16(28)14-15(22)23-7-12(18)25-14;1-3-27-11-6-9(17(19,20)21)4-5-10(11)26(2)13(27)8-24-16(28)14-15(22)23-7-12(18)25-14;2*1-3-24-11-6-9(18)4-5-10(11)23(2)13(24)8-21-16(25)14-15(19)20-7-12(17)22-14;;;;;;/h6-9H,4-5,10H2,1-3H3,(H2-,21,22,23,27);5-8H,3-4,9H2,1-2H3,(H3-,20,21,22,26,27,28);4-7H,3,8H2,1-2H3,(H2-,22,23,24,28);4-7H,3,8H2,1-2H3,(H2-,22,23,24,28);2*4-7H,3,8H2,1-2H3,(H2-,19,20,21,25);6*1H3/q;;;;;;6*-1/p+6
InChIKeyVACAYPSTLTXWEM-UHFFFAOYSA-T
XLogP15.16
TPSA611.09 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds29
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002766.33
LogP ≤ 515.16
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate with MolForge

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Related Compounds

1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 158712622
1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 161157712
3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide
CID 161465942
[1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one
CID 164961556
6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid
CID 165099018
N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide
CID 173170209
2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]propanamide
CID 173170752
2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;2-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbutanamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]propanamide
CID 173170753
N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide
CID 173422565
5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-1-[(2,4-difluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxylic acid;5-chloro-1-[(2,5-difluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxylic acid;5-chloro-N-ethyl-1-[(2-fluoro-5-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;methyl 1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 157953548
[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one
CID 165068582
3-Azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone)
CID 165110891

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate?
The IUPAC name of 3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate (CID 161241686) is 3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate.
What is the SMILES notation for 3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate?
The canonical SMILES for 3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate is CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](C)c2ccc(C(F)(F)F)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](C)c2ccc(Cl)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](C)c2ccc(F)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](C)c2ccc(OC(F)(F)F)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(C(=O)O)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(C(=O)OC)cc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of 3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate?
The InChIKey is VACAYPSTLTXWEM-UHFFFAOYSA-T. The full InChI is InChI=1S/C19H21BrN6O3.C18H19BrN6O3.C17H16BrF3N6O2.C17H16BrF3N6O.C16H16BrClN6O.C16H16BrFN6O.6CH3/c1-4-25-12-7-6-11(19(28)29-3)8-13(12)26(5-2)15(25)10-23-18(27)16-17(21)22-9-14(20)24-16;1-3-24-11-6-5-10(18(27)28)7-12(11)25(4-2)14(24)9-22-17(26)15-16(20)21-8-13(19)23-15;1-3-27-11-6-9(29-17(19,20)21)4-5-10(11)26(2)13(27)8-24-16(28)14-15(22)23-7-12(18)25-14;1-3-27-11-6-9(17(19,20)21)4-5-10(11)26(2)13(27)8-24-16(28)14-15(22)23-7-12(18)25-14;2*1-3-24-11-6-9(18)4-5-10(11)23(2)13(24)8-21-16(25)14-15(19)20-7-12(17)22-14;;;;;;/h6-9H,4-5,10H2,1-3H3,(H2-,21,22,23,27);5-8H,3-4,9H2,1-2H3,(H3-,20,21,22,26,27,28);4-7H,3,8H2,1-2H3,(H2-,22,23,24,28);4-7H,3,8H2,1-2H3,(H2-,22,23,24,28);2*4-7H,3,8H2,1-2H3,(H2-,19,20,21,25);6*1H3/q;;;;;;6*-1/p+6.
What are the key properties of 3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate?
3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate has a molecular weight of 2766.33 g/mol, XLogP of 15.16, 29 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate is sourced from PubChem (CID 161241686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).