2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide

C94H119FN36O17 — CID 158572500

About 2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide

2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide (PubChem CID 158572500) has the molecular formula C94H119FN36O17 and a molecular weight of 2044.22 g/mol. Its IUPAC name is 2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide.

Molecular Properties

• Compound Name: 2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide
• PubChem CID: 158572500
• Molecular Formula: C94H119FN36O17
• Molecular Weight: 2044.22 g/mol
• Exact Mass: 2042.95
• IUPAC Name: 2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide
• SMILES: CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCN(C)CCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21.CCn1nc(C)cc1C(=O)O.CN(CCN)CCN.CN(CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])CCNc1ccc(C(N)=O)cc1[N+](=O)[O-].CN(CCn1c(N)nc2cc(C(N)=O)ccc21)CCn1c(N)nc2cc(C(N)=O)ccc21.NC(=O)c1ccc(F)c([N+](=O)[O-])c1
• InChI: InChI=1S/C35H41N13O4.C21H25N9O2.C19H23N7O6.C7H5FN2O3.C7H10N2O2.C5H15N3/c1-6-47-28(16-20(3)42-47)32(51)40-34-38-24-18-22(30(36)49)8-10-26(24)45(34)14-12-44(5)13-15-46-27-11-9-23(31(37)50)19-25(27)39-35(46)41-33(52)29-17-21(4)43-48(29)7-2;1-28(6-8-29-16-4-2-12(18(22)31)10-14(16)26-20(29)24)7-9-30-17-5-3-13(19(23)32)11-15(17)27-21(30)25;1-24(8-6-22-14-4-2-12(18(20)27)10-16(14)25(29)30)9-7-23-15-5-3-13(19(21)28)11-17(15)26(31)32;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;1-8(4-2-6)5-3-7/h8-11,16-19H,6-7,12-15H2,1-5H3,(H2,36,49)(H2,37,50)(H,38,40,51)(H,39,41,52);2-5,10-11H,6-9H2,1H3,(H2,22,31)(H2,23,32)(H2,24,26)(H2,25,27);2-5,10-11,22-23H,6-9H2,1H3,(H2,20,27)(H2,21,28);1-3H,(H2,9,11);4H,3H2,1-2H3,(H,10,11);2-7H2,1H3
• InChIKey: HSGJDGWJWUQVNT-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 792.39 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 40
• Rotatable Bonds: 42
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2044.22
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'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 2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide?

The IUPAC name of 2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide (CID 158572500) is 2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide.

What is the SMILES notation for 2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide?

The canonical SMILES for 2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide is CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCN(C)CCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21.CCn1nc(C)cc1C(=O)O.CN(CCN)CCN.CN(CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])CCNc1ccc(C(N)=O)cc1[N+](=O)[O-].CN(CCn1c(N)nc2cc(C(N)=O)ccc21)CCn1c(N)nc2cc(C(N)=O)ccc21.NC(=O)c1ccc(F)c([N+](=O)[O-])c1.

What is the InChIKey of 2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide?

The InChIKey is HSGJDGWJWUQVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N13O4.C21H25N9O2.C19H23N7O6.C7H5FN2O3.C7H10N2O2.C5H15N3/c1-6-47-28(16-20(3)42-47)32(51)40-34-38-24-18-22(30(36)49)8-10-26(24)45(34)14-12-44(5)13-15-46-27-11-9-23(31(37)50)19-25(27)39-35(46)41-33(52)29-17-21(4)43-48(29)7-2;1-28(6-8-29-16-4-2-12(18(22)31)10-14(16)26-20(29)24)7-9-30-17-5-3-13(19(23)32)11-15(17)27-21(30)25;1-24(8-6-22-14-4-2-12(18(20)27)10-16(14)25(29)30)9-7-23-15-5-3-13(19(21)28)11-17(15)26(31)32;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;1-8(4-2-6)5-3-7/h8-11,16-19H,6-7,12-15H2,1-5H3,(H2,36,49)(H2,37,50)(H,38,40,51)(H,39,41,52);2-5,10-11H,6-9H2,1H3,(H2,22,31)(H2,23,32)(H2,24,26)(H2,25,27);2-5,10-11,22-23H,6-9H2,1H3,(H2,20,27)(H2,21,28);1-3H,(H2,9,11);4H,3H2,1-2H3,(H,10,11);2-7H2,1H3.

What are the key properties of 2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide?

2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide has a molecular weight of 2044.22 g/mol, XLogP of 4.88, 42 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide is sourced from PubChem (CID 158572500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).