2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide

C66H63N15O4 — CID 158995760

About 2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide

2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide (PubChem CID 158995760) has the molecular formula C66H63N15O4 and a molecular weight of 1130.33 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide
• PubChem CID: 158995760
• Molecular Formula: C66H63N15O4
• Molecular Weight: 1130.33 g/mol
• Exact Mass: 1129.52
• IUPAC Name: 2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide
• SMILES: CCc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1.CN(C)c1ccc(-c2nc3ccc(C(=O)Nc4ccncc4)cc3[nH]2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1
• InChI: InChI=1S/C23H23N5O.C22H21N5O2.C21H19N5O/c1-4-17-8-9-18(14-24-17)25-23(29)16-7-12-20-21(13-16)27-22(26-20)15-5-10-19(11-6-15)28(2)3;1-27(2)17-8-4-14(5-9-17)21-25-18-10-6-15(12-19(18)26-21)22(28)24-16-7-11-20(29-3)23-13-16;1-26(2)17-6-3-14(4-7-17)20-24-18-8-5-15(13-19(18)25-20)21(27)23-16-9-11-22-12-10-16/h5-14H,4H2,1-3H3,(H,25,29)(H,26,27);4-13H,1-3H3,(H,24,28)(H,25,26);3-13H,1-2H3,(H,24,25)(H,22,23,27)
• InChIKey: JQSJBNAVFWNWRZ-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 230.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1130.33
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide (CID 158995760) is 2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide is CCc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1.CN(C)c1ccc(-c2nc3ccc(C(=O)Nc4ccncc4)cc3[nH]2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1.

What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

The InChIKey is JQSJBNAVFWNWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.C22H21N5O2.C21H19N5O/c1-4-17-8-9-18(14-24-17)25-23(29)16-7-12-20-21(13-16)27-22(26-20)15-5-10-19(11-6-15)28(2)3;1-27(2)17-8-4-14(5-9-17)21-25-18-10-6-15(12-19(18)26-21)22(28)24-16-7-11-20(29-3)23-13-16;1-26(2)17-6-3-14(4-7-17)20-24-18-8-5-15(13-19(18)25-20)21(27)23-16-9-11-22-12-10-16/h5-14H,4H2,1-3H3,(H,25,29)(H,26,27);4-13H,1-3H3,(H,24,28)(H,25,26);3-13H,1-2H3,(H,24,25)(H,22,23,27).

What are the key properties of 2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 1130.33 g/mol, XLogP of 12.40, 14 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 158995760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).