1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide

C115H168FN33O24 — CID 165111463

About 1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide

1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide (PubChem CID 165111463) has the molecular formula C115H168FN33O24 and a molecular weight of 2415.81 g/mol. Its IUPAC name is 1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide.

Molecular Properties

• Compound Name: 1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide
• PubChem CID: 165111463
• Molecular Formula: C115H168FN33O24
• Molecular Weight: 2415.81 g/mol
• Exact Mass: 2414.29
• IUPAC Name: 1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide
• SMILES: CC(C)(C)OC(=O)NCCCCN.CC(C)(C)OC(=O)NCCCCNc1ccc(C(N)=O)cc1N.CC(C)(C)OC(=O)NCCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-].CC(C)(C)OC(=O)NCCCCn1c(N)nc2cc(C(N)=O)ccc21.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCN.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)OC(C)(C)C.CCn1nc(C)cc1C(=O)O.NC(=O)c1ccc(F)c([N+](=O)[O-])c1
• InChI: InChI=1S/C24H33N7O4.C19H25N7O2.C17H25N5O3.C16H24N4O5.C16H26N4O3.C9H20N2O2.C7H5FN2O3.C7H10N2O2/c1-6-31-19(13-15(2)29-31)21(33)28-22-27-17-14-16(20(25)32)9-10-18(17)30(22)12-8-7-11-26-23(34)35-24(3,4)5;1-3-26-16(10-12(2)24-26)18(28)23-19-22-14-11-13(17(21)27)6-7-15(14)25(19)9-5-4-8-20;1-17(2,3)25-16(24)20-8-4-5-9-22-13-7-6-11(14(18)23)10-12(13)21-15(22)19;1-16(2,3)25-15(22)19-9-5-4-8-18-12-7-6-11(14(17)21)10-13(12)20(23)24;1-16(2,3)23-15(22)20-9-5-4-8-19-13-7-6-11(14(18)21)10-12(13)17;1-9(2,3)13-8(12)11-7-5-4-6-10;8-5-2-1-4(7(9)11)3-6(5)10(12)13;1-3-9-6(7(10)11)4-5(2)8-9/h9-10,13-14H,6-8,11-12H2,1-5H3,(H2,25,32)(H,26,34)(H,27,28,33);6-7,10-11H,3-5,8-9,20H2,1-2H3,(H2,21,27)(H,22,23,28);6-7,10H,4-5,8-9H2,1-3H3,(H2,18,23)(H2,19,21)(H,20,24);6-7,10,18H,4-5,8-9H2,1-3H3,(H2,17,21)(H,19,22);6-7,10,19H,4-5,8-9,17H2,1-3H3,(H2,18,21)(H,20,22);4-7,10H2,1-3H3,(H,11,12);1-3H,(H2,9,11);4H,3H2,1-2H3,(H,10,11)
• InChIKey: RPXALUPNERTFEW-UHFFFAOYSA-N
• XLogP: 14.38
• TPSA: 867.03 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 41
• Rotatable Bonds: 46
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2415.81
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide?

The IUPAC name of 1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide (CID 165111463) is 1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide.

What is the SMILES notation for 1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide?

The canonical SMILES for 1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide is CC(C)(C)OC(=O)NCCCCN.CC(C)(C)OC(=O)NCCCCNc1ccc(C(N)=O)cc1N.CC(C)(C)OC(=O)NCCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-].CC(C)(C)OC(=O)NCCCCn1c(N)nc2cc(C(N)=O)ccc21.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCN.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)OC(C)(C)C.CCn1nc(C)cc1C(=O)O.NC(=O)c1ccc(F)c([N+](=O)[O-])c1.

What is the InChIKey of 1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide?

The InChIKey is RPXALUPNERTFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O4.C19H25N7O2.C17H25N5O3.C16H24N4O5.C16H26N4O3.C9H20N2O2.C7H5FN2O3.C7H10N2O2/c1-6-31-19(13-15(2)29-31)21(33)28-22-27-17-14-16(20(25)32)9-10-18(17)30(22)12-8-7-11-26-23(34)35-24(3,4)5;1-3-26-16(10-12(2)24-26)18(28)23-19-22-14-11-13(17(21)27)6-7-15(14)25(19)9-5-4-8-20;1-17(2,3)25-16(24)20-8-4-5-9-22-13-7-6-11(14(18)23)10-12(13)21-15(22)19;1-16(2,3)25-15(22)19-9-5-4-8-18-12-7-6-11(14(17)21)10-13(12)20(23)24;1-16(2,3)23-15(22)20-9-5-4-8-19-13-7-6-11(14(18)21)10-12(13)17;1-9(2,3)13-8(12)11-7-5-4-6-10;8-5-2-1-4(7(9)11)3-6(5)10(12)13;1-3-9-6(7(10)11)4-5(2)8-9/h9-10,13-14H,6-8,11-12H2,1-5H3,(H2,25,32)(H,26,34)(H,27,28,33);6-7,10-11H,3-5,8-9,20H2,1-2H3,(H2,21,27)(H,22,23,28);6-7,10H,4-5,8-9H2,1-3H3,(H2,18,23)(H2,19,21)(H,20,24);6-7,10,18H,4-5,8-9H2,1-3H3,(H2,17,21)(H,19,22);6-7,10,19H,4-5,8-9,17H2,1-3H3,(H2,18,21)(H,20,22);4-7,10H2,1-3H3,(H,11,12);1-3H,(H2,9,11);4H,3H2,1-2H3,(H,10,11).

What are the key properties of 1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide?

1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide has a molecular weight of 2415.81 g/mol, XLogP of 14.38, 46 rotatable bonds, 20 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide is sourced from PubChem (CID 165111463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).