2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid

C61H62F8N22O8 — CID 160687587

About 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid

2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid (PubChem CID 160687587) has the molecular formula C61H62F8N22O8 and a molecular weight of 1383.30 g/mol. Its IUPAC name is 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid
• PubChem CID: 160687587
• Molecular Formula: C61H62F8N22O8
• Molecular Weight: 1383.30 g/mol
• Exact Mass: 1382.50
• IUPAC Name: 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid
• SMILES: CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CC(F)(F)C(F)(F)Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21.CCn1nc(C)cc1C(=O)O.NC(=O)c1ccc2c(c1)nc(N)n2CC(F)(F)C(F)(F)Cn1c(N)nc2cc(C(N)=O)ccc21
• InChI: InChI=1S/C34H34F4N12O4.C20H18F4N8O2.C7H10N2O2/c1-5-49-25(11-17(3)45-49)29(53)43-31-41-21-13-19(27(39)51)7-9-23(21)47(31)15-33(35,36)34(37,38)16-48-24-10-8-20(28(40)52)14-22(24)42-32(48)44-30(54)26-12-18(4)46-50(26)6-2;21-19(22,7-31-13-3-1-9(15(25)33)5-11(13)29-17(31)27)20(23,24)8-32-14-4-2-10(16(26)34)6-12(14)30-18(32)28;1-3-9-6(7(10)11)4-5(2)8-9/h7-14H,5-6,15-16H2,1-4H3,(H2,39,51)(H2,40,52)(H,41,43,53)(H,42,44,54);1-6H,7-8H2,(H2,25,33)(H2,26,34)(H2,27,29)(H2,28,30);4H,3H2,1-2H3,(H,10,11)
• InChIKey: ROYVNMNGOLGDNI-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 444.64 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1383.30
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid?

The IUPAC name of 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid (CID 160687587) is 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid.

What is the SMILES notation for 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid?

The canonical SMILES for 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid is CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CC(F)(F)C(F)(F)Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21.CCn1nc(C)cc1C(=O)O.NC(=O)c1ccc2c(c1)nc(N)n2CC(F)(F)C(F)(F)Cn1c(N)nc2cc(C(N)=O)ccc21.

What is the InChIKey of 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid?

The InChIKey is ROYVNMNGOLGDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F4N12O4.C20H18F4N8O2.C7H10N2O2/c1-5-49-25(11-17(3)45-49)29(53)43-31-41-21-13-19(27(39)51)7-9-23(21)47(31)15-33(35,36)34(37,38)16-48-24-10-8-20(28(40)52)14-22(24)42-32(48)44-30(54)26-12-18(4)46-50(26)6-2;21-19(22,7-31-13-3-1-9(15(25)33)5-11(13)29-17(31)27)20(23,24)8-32-14-4-2-10(16(26)34)6-12(14)30-18(32)28;1-3-9-6(7(10)11)4-5(2)8-9/h7-14H,5-6,15-16H2,1-4H3,(H2,39,51)(H2,40,52)(H,41,43,53)(H,42,44,54);1-6H,7-8H2,(H2,25,33)(H2,26,34)(H2,27,29)(H2,28,30);4H,3H2,1-2H3,(H,10,11).

What are the key properties of 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid?

2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid has a molecular weight of 1383.30 g/mol, XLogP of 6.74, 22 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 160687587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).