2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate

C136H148N22O13 — CID 157495602

About 2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate

2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate (PubChem CID 157495602) has the molecular formula C136H148N22O13 and a molecular weight of 2298.82 g/mol. Its IUPAC name is 2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate.

Molecular Properties

• Compound Name: 2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate
• PubChem CID: 157495602
• Molecular Formula: C136H148N22O13
• Molecular Weight: 2298.82 g/mol
• Exact Mass: 2297.16
• IUPAC Name: 2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate
• SMILES: CN(C)CCCN.CN(C)CCCNC(=O)c1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(C(=O)NCCN(C)C)cc4C3)cc1)=N2.CN(C)CCN.CN(C)CCNC(=O)c1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(C(=O)O)cc4C3)cc1)=N2.Cc1ccc(CO)cc1.Cc1ccc(COC(=O)c2ccc3c(c2)CC(c2ccc(-c4nc5ccc(C(=O)CCCN(C)C)cc5[nH]4)cc2)=N3)cc1.O=C(O)c1ccc2nc(-c3ccc(-c4nc5ccc(C(=O)O)cc5[nH]4)cc3)[nH]c2c1
• InChI: InChI=1S/C36H34N4O3.C33H38N6O2.C28H26N4O3.C22H14N4O4.C8H10O.C5H14N2.C4H12N2/c1-23-6-8-24(9-7-23)22-43-36(42)28-15-16-30-29(19-28)21-32(37-30)25-10-12-26(13-11-25)35-38-31-17-14-27(20-33(31)39-35)34(41)5-4-18-40(2)3;1-38(2)16-5-14-34-32(40)24-10-12-28-26(18-24)20-30(36-28)22-6-8-23(9-7-22)31-21-27-19-25(11-13-29(27)37-31)33(41)35-15-17-39(3)4;1-32(2)12-11-29-27(33)19-7-9-23-21(13-19)15-25(30-23)17-3-5-18(6-4-17)26-16-22-14-20(28(34)35)8-10-24(22)31-26;27-21(28)13-5-7-15-17(9-13)25-19(23-15)11-1-2-12(4-3-11)20-24-16-8-6-14(22(29)30)10-18(16)26-20;1-7-2-4-8(6-9)5-3-7;1-7(2)5-3-4-6;1-6(2)4-3-5/h6-17,19-20H,4-5,18,21-22H2,1-3H3,(H,38,39);6-13,18-19H,5,14-17,20-21H2,1-4H3,(H,34,40)(H,35,41);3-10,13-14H,11-12,15-16H2,1-2H3,(H,29,33)(H,34,35);1-10H,(H,23,25)(H,24,26)(H,27,28)(H,29,30);2-5,9H,6H2,1H3;3-6H2,1-2H3;3-5H2,1-2H3
• InChIKey: BXUJQETZJPMDRG-UHFFFAOYSA-N
• XLogP: 20.20
• TPSA: 482.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 38
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2298.82
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate?

The IUPAC name of 2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate (CID 157495602) is 2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate.

What is the SMILES notation for 2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate?

The canonical SMILES for 2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate is CN(C)CCCN.CN(C)CCCNC(=O)c1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(C(=O)NCCN(C)C)cc4C3)cc1)=N2.CN(C)CCN.CN(C)CCNC(=O)c1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(C(=O)O)cc4C3)cc1)=N2.Cc1ccc(CO)cc1.Cc1ccc(COC(=O)c2ccc3c(c2)CC(c2ccc(-c4nc5ccc(C(=O)CCCN(C)C)cc5[nH]4)cc2)=N3)cc1.O=C(O)c1ccc2nc(-c3ccc(-c4nc5ccc(C(=O)O)cc5[nH]4)cc3)[nH]c2c1.

What is the InChIKey of 2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate?

The InChIKey is BXUJQETZJPMDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4O3.C33H38N6O2.C28H26N4O3.C22H14N4O4.C8H10O.C5H14N2.C4H12N2/c1-23-6-8-24(9-7-23)22-43-36(42)28-15-16-30-29(19-28)21-32(37-30)25-10-12-26(13-11-25)35-38-31-17-14-27(20-33(31)39-35)34(41)5-4-18-40(2)3;1-38(2)16-5-14-34-32(40)24-10-12-28-26(18-24)20-30(36-28)22-6-8-23(9-7-22)31-21-27-19-25(11-13-29(27)37-31)33(41)35-15-17-39(3)4;1-32(2)12-11-29-27(33)19-7-9-23-21(13-19)15-25(30-23)17-3-5-18(6-4-17)26-16-22-14-20(28(34)35)8-10-24(22)31-26;27-21(28)13-5-7-15-17(9-13)25-19(23-15)11-1-2-12(4-3-11)20-24-16-8-6-14(22(29)30)10-18(16)26-20;1-7-2-4-8(6-9)5-3-7;1-7(2)5-3-4-6;1-6(2)4-3-5/h6-17,19-20H,4-5,18,21-22H2,1-3H3,(H,38,39);6-13,18-19H,5,14-17,20-21H2,1-4H3,(H,34,40)(H,35,41);3-10,13-14H,11-12,15-16H2,1-2H3,(H,29,33)(H,34,35);1-10H,(H,23,25)(H,24,26)(H,27,28)(H,29,30);2-5,9H,6H2,1H3;3-6H2,1-2H3;3-5H2,1-2H3.

What are the key properties of 2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate?

2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate has a molecular weight of 2298.82 g/mol, XLogP of 20.20, 38 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate is sourced from PubChem (CID 157495602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).