1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one

C122H130N18O14 — CID 157443270

About 1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one

1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one (PubChem CID 157443270) has the molecular formula C122H130N18O14 and a molecular weight of 2072.49 g/mol. Its IUPAC name is 1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 157443270
• Molecular Formula: C122H130N18O14
• Molecular Weight: 2072.49 g/mol
• Exact Mass: 2071.00
• IUPAC Name: 1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one
• SMILES: CC(C)(C)C(=O)c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1.CC(C)(C)C(=O)c1ccc2nc(-c3ccc(OCCOCCO)cc3)[nH]c2c1.CC(C)(C)C(=O)c1ccc2nc(-c3ccc4[nH]c(C(=O)Nc5ccc(N)cc5)cc4c3)[nH]c2c1.COc1cc(-c2nc3ccc(C(=O)C(C)(C)C)cc3[nH]2)ccc1N.COc1cc(-c2nc3ccc(C(=O)C(C)(C)C)cc3[nH]2)ccc1O.Cn1cc(N)cc1-c1nc2ccc(C(=O)C(C)(C)C)cc2[nH]1
• InChI: InChI=1S/C27H25N5O2.C22H26N2O4.C19H21N3O2.C19H20N2O3.C18H18N2O2.C17H20N4O/c1-27(2,3)24(33)15-4-11-21-22(13-15)32-25(31-21)16-5-10-20-17(12-16)14-23(30-20)26(34)29-19-8-6-18(28)7-9-19;1-22(2,3)20(26)16-6-9-18-19(14-16)24-21(23-18)15-4-7-17(8-5-15)28-13-12-27-11-10-25;1-19(2,3)17(23)11-6-8-14-15(9-11)22-18(21-14)12-5-7-13(20)16(10-12)24-4;1-19(2,3)17(23)11-5-7-13-14(9-11)21-18(20-13)12-6-8-15(22)16(10-12)24-4;1-18(2,3)16(22)12-6-9-14-15(10-12)20-17(19-14)11-4-7-13(21)8-5-11;1-17(2,3)15(22)10-5-6-12-13(7-10)20-16(19-12)14-8-11(18)9-21(14)4/h4-14,30H,28H2,1-3H3,(H,29,34)(H,31,32);4-9,14,25H,10-13H2,1-3H3,(H,23,24);5-10H,20H2,1-4H3,(H,21,22);5-10,22H,1-4H3,(H,20,21);4-10,21H,1-3H3,(H,19,20);5-9H,18H2,1-4H3,(H,19,20)
• InChIKey: BRXSKEQMBFKTTK-UHFFFAOYSA-N
• XLogP: 25.39
• TPSA: 499.99 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2072.49
LogP ≤ 5	25.39
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one (CID 157443270) is 1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1.CC(C)(C)C(=O)c1ccc2nc(-c3ccc(OCCOCCO)cc3)[nH]c2c1.CC(C)(C)C(=O)c1ccc2nc(-c3ccc4[nH]c(C(=O)Nc5ccc(N)cc5)cc4c3)[nH]c2c1.COc1cc(-c2nc3ccc(C(=O)C(C)(C)C)cc3[nH]2)ccc1N.COc1cc(-c2nc3ccc(C(=O)C(C)(C)C)cc3[nH]2)ccc1O.Cn1cc(N)cc1-c1nc2ccc(C(=O)C(C)(C)C)cc2[nH]1.

What is the InChIKey of 1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one?

The InChIKey is BRXSKEQMBFKTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2.C22H26N2O4.C19H21N3O2.C19H20N2O3.C18H18N2O2.C17H20N4O/c1-27(2,3)24(33)15-4-11-21-22(13-15)32-25(31-21)16-5-10-20-17(12-16)14-23(30-20)26(34)29-19-8-6-18(28)7-9-19;1-22(2,3)20(26)16-6-9-18-19(14-16)24-21(23-18)15-4-7-17(8-5-15)28-13-12-27-11-10-25;1-19(2,3)17(23)11-6-8-14-15(9-11)22-18(21-14)12-5-7-13(20)16(10-12)24-4;1-19(2,3)17(23)11-5-7-13-14(9-11)21-18(20-13)12-6-8-15(22)16(10-12)24-4;1-18(2,3)16(22)12-6-9-14-15(10-12)20-17(19-14)11-4-7-13(21)8-5-11;1-17(2,3)15(22)10-5-6-12-13(7-10)20-16(19-12)14-8-11(18)9-21(14)4/h4-14,30H,28H2,1-3H3,(H,29,34)(H,31,32);4-9,14,25H,10-13H2,1-3H3,(H,23,24);5-10H,20H2,1-4H3,(H,21,22);5-10,22H,1-4H3,(H,20,21);4-10,21H,1-3H3,(H,19,20);5-9H,18H2,1-4H3,(H,19,20).

What are the key properties of 1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one?

1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one has a molecular weight of 2072.49 g/mol, XLogP of 25.39, 22 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 157443270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).