3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride

C153H183Br6ClF3I2N49O24+2 — CID 158650533

About 3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride

3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride (PubChem CID 158650533) has the molecular formula C153H183Br6ClF3I2N49O24+2 and a molecular weight of 3918.14 g/mol. Its IUPAC name is 3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride.

Molecular Properties

• Compound Name: 3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride
• PubChem CID: 158650533
• Molecular Formula: C153H183Br6ClF3I2N49O24+2
• Molecular Weight: 3918.14 g/mol
• Exact Mass: 3909.74
• IUPAC Name: 3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride
• SMILES: CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(-c3cnn(C4CCNCC4)c3)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(C(=O)N[C@@H]3CCOC3=O)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(C(=O)N[C@H]3CCOC3=O)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](Cc2ccccc2)c2ccc(C(F)(F)F)cc21.Cl.O=CO.O=CO.O=CO.O=C[O-].O=C[O-].[H]/N=C(\N)N1CCC(n2cc(-c3ccc4c(c3)n(CC)c(CNC(=O)c3nc(Br)cnc3N)[n+]4CC)cn2)CC1.[I-].[I-]
• InChI: InChI=1S/C30H38BrN9O3.C26H32BrN11O.C25H30BrN9O.C23H20BrF3N6O.2C22H24BrN7O4.5CH2O2.ClH.2HI/c1-6-38-22-9-8-19(20-15-35-40(18-20)21-10-12-37(13-11-21)29(42)43-30(3,4)5)14-23(22)39(7-2)25(38)17-34-28(41)26-27(32)33-16-24(31)36-26;1-3-36-19-6-5-16(17-12-33-38(15-17)18-7-9-35(10-8-18)26(29)30)11-20(19)37(4-2)22(36)14-32-25(39)23-24(28)31-13-21(27)34-23;1-3-33-19-6-5-16(17-12-31-35(15-17)18-7-9-28-10-8-18)11-20(19)34(4-2)22(33)14-30-25(36)23-24(27)29-13-21(26)32-23;1-2-32-17-10-15(23(25,26)27)8-9-16(17)33(13-14-6-4-3-5-7-14)19(32)12-30-22(34)20-21(28)29-11-18(24)31-20;2*1-3-29-14-6-5-12(20(31)27-13-7-8-34-22(13)33)9-15(14)30(4-2)17(29)11-26-21(32)18-19(24)25-10-16(23)28-18;5*2-1-3;;;/h8-9,14-16,18,21H,6-7,10-13,17H2,1-5H3,(H2-,32,33,34,41);5-6,11-13,15,18H,3-4,7-10,14H2,1-2H3,(H5-,28,29,30,31,32,39);5-6,11-13,15,18,28H,3-4,7-10,14H2,1-2H3,(H2-,27,29,30,36);3-11H,2,12-13H2,1H3,(H2-,28,29,30,34);2*5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H3-,24,25,26,27,31,32);5*1H,(H,2,3);3*1H/p+2/t;;;;2*13-;;;;;;;;/m....10......../s1
• InChIKey: BMTWCLDWIOJOBW-UXVOALJCSA-P
• XLogP: 6.22
• TPSA: 989.36 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 53
• Rotatable Bonds: 41
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3918.14
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride?

The IUPAC name of 3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride (CID 158650533) is 3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride.

What is the SMILES notation for 3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride?

The canonical SMILES for 3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride is CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(-c3cnn(C4CCNCC4)c3)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(C(=O)N[C@@H]3CCOC3=O)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](CC)c2ccc(C(=O)N[C@H]3CCOC3=O)cc21.CCn1c(CNC(=O)c2nc(Br)cnc2N)[n+](Cc2ccccc2)c2ccc(C(F)(F)F)cc21.Cl.O=CO.O=CO.O=CO.O=C[O-].O=C[O-].[H]/N=C(\N)N1CCC(n2cc(-c3ccc4c(c3)n(CC)c(CNC(=O)c3nc(Br)cnc3N)[n+]4CC)cn2)CC1.[I-].[I-].

What is the InChIKey of 3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride?

The InChIKey is BMTWCLDWIOJOBW-UXVOALJCSA-P. The full InChI is InChI=1S/C30H38BrN9O3.C26H32BrN11O.C25H30BrN9O.C23H20BrF3N6O.2C22H24BrN7O4.5CH2O2.ClH.2HI/c1-6-38-22-9-8-19(20-15-35-40(18-20)21-10-12-37(13-11-21)29(42)43-30(3,4)5)14-23(22)39(7-2)25(38)17-34-28(41)26-27(32)33-16-24(31)36-26;1-3-36-19-6-5-16(17-12-33-38(15-17)18-7-9-35(10-8-18)26(29)30)11-20(19)37(4-2)22(36)14-32-25(39)23-24(28)31-13-21(27)34-23;1-3-33-19-6-5-16(17-12-31-35(15-17)18-7-9-28-10-8-18)11-20(19)34(4-2)22(33)14-30-25(36)23-24(27)29-13-21(26)32-23;1-2-32-17-10-15(23(25,26)27)8-9-16(17)33(13-14-6-4-3-5-7-14)19(32)12-30-22(34)20-21(28)29-11-18(24)31-20;2*1-3-29-14-6-5-12(20(31)27-13-7-8-34-22(13)33)9-15(14)30(4-2)17(29)11-26-21(32)18-19(24)25-10-16(23)28-18;5*2-1-3;;;/h8-9,14-16,18,21H,6-7,10-13,17H2,1-5H3,(H2-,32,33,34,41);5-6,11-13,15,18H,3-4,7-10,14H2,1-2H3,(H5-,28,29,30,31,32,39);5-6,11-13,15,18,28H,3-4,7-10,14H2,1-2H3,(H2-,27,29,30,36);3-11H,2,12-13H2,1H3,(H2-,28,29,30,34);2*5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H3-,24,25,26,27,31,32);5*1H,(H,2,3);3*1H/p+2/t;;;;2*13-;;;;;;;;/m....10......../s1.

What are the key properties of 3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride?

3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride has a molecular weight of 3918.14 g/mol, XLogP of 6.22, 41 rotatable bonds, 20 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;formic acid;diformate;diiodide;hydrochloride is sourced from PubChem (CID 158650533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).