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

C107H115Br7ClF7I2N36O19 — CID 161465942

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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide
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.O=CO.O=C[O-].O=C[O-].O=C[O-].[Br-].[I-].[I-]
InChIInChI=1S/C19H21BrN6O3.C18H19BrN6O3.C17H16BrF3N6O2.C17H16BrF3N6O.C16H16BrClN6O.C16H16BrFN6O.4CH2O2.BrH.2HI/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;4*2-1-3;;;/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);4*1H,(H,2,3);3*1H
InChIKeyPMXMUFRPTXTDPP-UHFFFAOYSA-N
MW3190.90 g/mol
LogP-1.73
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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide

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 (PubChem CID 161465942) has the molecular formula C107H115Br7ClF7I2N36O19 and a molecular weight of 3190.90 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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide.

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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide
PubChem CID161465942
Molecular FormulaC107H115Br7ClF7I2N36O19
Molecular Weight3190.90 g/mol
Exact Mass3182.11
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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide
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.O=CO.O=C[O-].O=C[O-].O=C[O-].[Br-].[I-].[I-]
InChIInChI=1S/C19H21BrN6O3.C18H19BrN6O3.C17H16BrF3N6O2.C17H16BrF3N6O.C16H16BrClN6O.C16H16BrFN6O.4CH2O2.BrH.2HI/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;4*2-1-3;;;/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);4*1H,(H,2,3);3*1H
InChIKeyPMXMUFRPTXTDPP-UHFFFAOYSA-N
XLogP-1.73
TPSA768.78 Ų
H-Bond Donors14
H-Bond Acceptors41
Rotatable Bonds29
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003190.90
LogP ≤ 5-1.73
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide 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
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
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
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
(3-Aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 167704752

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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide?
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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide (CID 161465942) 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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide.
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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide?
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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide 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.O=CO.O=C[O-].O=C[O-].O=C[O-].[Br-].[I-].[I-].
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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide?
The InChIKey is PMXMUFRPTXTDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN6O3.C18H19BrN6O3.C17H16BrF3N6O2.C17H16BrF3N6O.C16H16BrClN6O.C16H16BrFN6O.4CH2O2.BrH.2HI/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;4*2-1-3;;;/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);4*1H,(H,2,3);3*1H.
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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide?
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 has a molecular weight of 3190.90 g/mol, XLogP of -1.73, 29 rotatable bonds, 14 hydrogen bond donors, and 41 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;formic acid;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate;bromide;triformate;diiodide is sourced from PubChem (CID 161465942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).