N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide

C34H34N6O3 — CID 67113453

About N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide

N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide (PubChem CID 67113453) has the molecular formula C34H34N6O3 and a molecular weight of 574.69 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide
• PubChem CID: 67113453
• Molecular Formula: C34H34N6O3
• Molecular Weight: 574.69 g/mol
• Exact Mass: 574.27
• IUPAC Name: N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide
• SMILES: CN(C)c1ccc(C(=O)Nc2ccc(C(=O)N(c3ccc(N4CCC(O)CC4)cc3)c3ccc4nc[nH]c4c3)cc2)cc1
• InChI: InChI=1S/C34H34N6O3/c1-38(2)26-9-5-23(6-10-26)33(42)37-25-7-3-24(4-8-25)34(43)40(29-15-16-31-32(21-29)36-22-35-31)28-13-11-27(12-14-28)39-19-17-30(41)18-20-39/h3-16,21-22,30,41H,17-20H2,1-2H3,(H,35,36)(H,37,42)
• InChIKey: FHARKNDVWRJGJJ-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 104.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.69
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide?

The IUPAC name of N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide (CID 67113453) is N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide.

What is the SMILES notation for N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide?

The canonical SMILES for N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide is CN(C)c1ccc(C(=O)Nc2ccc(C(=O)N(c3ccc(N4CCC(O)CC4)cc3)c3ccc4nc[nH]c4c3)cc2)cc1.

What is the InChIKey of N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide?

The InChIKey is FHARKNDVWRJGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N6O3/c1-38(2)26-9-5-23(6-10-26)33(42)37-25-7-3-24(4-8-25)34(43)40(29-15-16-31-32(21-29)36-22-35-31)28-13-11-27(12-14-28)39-19-17-30(41)18-20-39/h3-16,21-22,30,41H,17-20H2,1-2H3,(H,35,36)(H,37,42).

What are the key properties of N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide?

N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide has a molecular weight of 574.69 g/mol, XLogP of 5.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 67113453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).