3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide

C107H123N17O18 — CID 158487056

About 3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide

3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide (PubChem CID 158487056) has the molecular formula C107H123N17O18 and a molecular weight of 1935.26 g/mol. Its IUPAC name is 3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide
• PubChem CID: 158487056
• Molecular Formula: C107H123N17O18
• Molecular Weight: 1935.26 g/mol
• Exact Mass: 1933.92
• IUPAC Name: 3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide
• SMILES: CC(C)(C)C(=O)c1ccc2[nH]c(NC(=O)c3ccc(N)cc3)cc2c1.CC(C)(C)C(=O)c1ccc2[nH]c(NC(=O)c3ccc(O)cc3)cc2c1.CC(C)(C)C(=O)c1ccc2nc(NC(=O)c3ccc(OCCOCCO)cc3)[nH]c2c1.CC(C)(C)C(=O)c1ccc2nc(NC(=O)c3cccc(N)c3)[nH]c2c1.COCCOCCOCCOCCn1cc(C(=O)Nc2cc3cc(C(=O)C(C)(C)C)ccc3[nH]2)nn1
• InChI: InChI=1S/C25H35N5O6.C23H27N3O5.C20H21N3O2.C20H20N2O3.C19H20N4O2/c1-25(2,3)23(31)18-5-6-20-19(15-18)16-22(26-20)27-24(32)21-17-30(29-28-21)7-8-34-11-12-36-14-13-35-10-9-33-4;1-23(2,3)20(28)16-6-9-18-19(14-16)25-22(24-18)26-21(29)15-4-7-17(8-5-15)31-13-12-30-11-10-27;1-20(2,3)18(24)13-6-9-16-14(10-13)11-17(22-16)23-19(25)12-4-7-15(21)8-5-12;1-20(2,3)18(24)13-6-9-16-14(10-13)11-17(21-16)22-19(25)12-4-7-15(23)8-5-12;1-19(2,3)16(24)11-7-8-14-15(10-11)22-18(21-14)23-17(25)12-5-4-6-13(20)9-12/h5-6,15-17,26H,7-14H2,1-4H3,(H,27,32);4-9,14,27H,10-13H2,1-3H3,(H2,24,25,26,29);4-11,22H,21H2,1-3H3,(H,23,25);4-11,21,23H,1-3H3,(H,22,25);4-10H,20H2,1-3H3,(H2,21,22,23,25)
• InChIKey: HIFOZYSQCLTQSL-UHFFFAOYSA-N
• XLogP: 18.58
• TPSA: 514.17 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 25
• Rotatable Bonds: 33
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1935.26
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide?

The IUPAC name of 3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide (CID 158487056) is 3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide.

What is the SMILES notation for 3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide?

The canonical SMILES for 3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide is CC(C)(C)C(=O)c1ccc2[nH]c(NC(=O)c3ccc(N)cc3)cc2c1.CC(C)(C)C(=O)c1ccc2[nH]c(NC(=O)c3ccc(O)cc3)cc2c1.CC(C)(C)C(=O)c1ccc2nc(NC(=O)c3ccc(OCCOCCO)cc3)[nH]c2c1.CC(C)(C)C(=O)c1ccc2nc(NC(=O)c3cccc(N)c3)[nH]c2c1.COCCOCCOCCOCCn1cc(C(=O)Nc2cc3cc(C(=O)C(C)(C)C)ccc3[nH]2)nn1.

What is the InChIKey of 3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide?

The InChIKey is HIFOZYSQCLTQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O6.C23H27N3O5.C20H21N3O2.C20H20N2O3.C19H20N4O2/c1-25(2,3)23(31)18-5-6-20-19(15-18)16-22(26-20)27-24(32)21-17-30(29-28-21)7-8-34-11-12-36-14-13-35-10-9-33-4;1-23(2,3)20(28)16-6-9-18-19(14-16)25-22(24-18)26-21(29)15-4-7-17(8-5-15)31-13-12-30-11-10-27;1-20(2,3)18(24)13-6-9-16-14(10-13)11-17(22-16)23-19(25)12-4-7-15(21)8-5-12;1-20(2,3)18(24)13-6-9-16-14(10-13)11-17(21-16)22-19(25)12-4-7-15(23)8-5-12;1-19(2,3)16(24)11-7-8-14-15(10-11)22-18(21-14)23-17(25)12-5-4-6-13(20)9-12/h5-6,15-17,26H,7-14H2,1-4H3,(H,27,32);4-9,14,27H,10-13H2,1-3H3,(H2,24,25,26,29);4-11,22H,21H2,1-3H3,(H,23,25);4-11,21,23H,1-3H3,(H,22,25);4-10H,20H2,1-3H3,(H2,21,22,23,25).

What are the key properties of 3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide?

3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide has a molecular weight of 1935.26 g/mol, XLogP of 18.58, 33 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 158487056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).