bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate

C142H202N18O12 — CID 139191029

About bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate

bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate (PubChem CID 139191029) has the molecular formula C142H202N18O12 and a molecular weight of 2353.29 g/mol. Its IUPAC name is bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate.

Molecular Properties

• Compound Name: bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate
• PubChem CID: 139191029
• Molecular Formula: C142H202N18O12
• Molecular Weight: 2353.29 g/mol
• Exact Mass: 2351.57
• IUPAC Name: bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=C(Nc1cccc2cc[nH]c12)Nc1cccc2cc(C(=O)Nc3nc4ccccc4[nH]3)[nH]c12.O=C(Nc1cccc2cc[nH]c12)Nc1cccc2cc(C(=O)Nc3nc4ccccc4[nH]3)[nH]c12.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1
• InChI: InChI=1S/2C25H19N7O2.4C16H36N.4C7H6O2/c2*33-23(32-24-28-16-7-1-2-8-17(16)29-24)20-13-15-6-4-10-19(22(15)27-20)31-25(34)30-18-9-3-5-14-11-12-26-21(14)18;4*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4*8-7(9)6-4-2-1-3-5-6/h2*1-13,26-27H,(H2,30,31,34)(H2,28,29,32,33);4*5-16H2,1-4H3;4*1-5H,(H,8,9)/q;;4*+1;;;;/p-4
• InChIKey: RORQKXUSVCKUGD-UHFFFAOYSA-J
• XLogP: 31.06
• TPSA: 421.50 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 14
• Rotatable Bonds: 60
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2353.29
LogP ≤ 5	31.06
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate?

The IUPAC name of bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate (CID 139191029) is bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate.

What is the SMILES notation for bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate?

The canonical SMILES for bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate is CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=C(Nc1cccc2cc[nH]c12)Nc1cccc2cc(C(=O)Nc3nc4ccccc4[nH]3)[nH]c12.O=C(Nc1cccc2cc[nH]c12)Nc1cccc2cc(C(=O)Nc3nc4ccccc4[nH]3)[nH]c12.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.

What is the InChIKey of bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate?

The InChIKey is RORQKXUSVCKUGD-UHFFFAOYSA-J. The full InChI is InChI=1S/2C25H19N7O2.4C16H36N.4C7H6O2/c2*33-23(32-24-28-16-7-1-2-8-17(16)29-24)20-13-15-6-4-10-19(22(15)27-20)31-25(34)30-18-9-3-5-14-11-12-26-21(14)18;4*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4*8-7(9)6-4-2-1-3-5-6/h2*1-13,26-27H,(H2,30,31,34)(H2,28,29,32,33);4*5-16H2,1-4H3;4*1-5H,(H,8,9)/q;;4*+1;;;;/p-4.

What are the key properties of bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate?

bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate has a molecular weight of 2353.29 g/mol, XLogP of 31.06, 60 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate is sourced from PubChem (CID 139191029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).