N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide

C30H40N4O2 — CID 16981519

About N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide

N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide (PubChem CID 16981519) has the molecular formula C30H40N4O2 and a molecular weight of 488.68 g/mol. Its IUPAC name is N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
• PubChem CID: 16981519
• Molecular Formula: C30H40N4O2
• Molecular Weight: 488.68 g/mol
• Exact Mass: 488.32
• IUPAC Name: N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)NCCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1
• InChI: InChI=1S/C30H40N4O2/c1-30(2,3)29(36)31-20-12-19-27-32-25-17-10-11-18-26(25)34(27)22-28(35)33(24-15-8-5-9-16-24)21-23-13-6-4-7-14-23/h4,6-7,10-11,13-14,17-18,24H,5,8-9,12,15-16,19-22H2,1-3H3,(H,31,36)
• InChIKey: OOYQRHZQSFRBRY-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.68
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide (CID 16981519) is N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1.

What is the InChIKey of N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide?

The InChIKey is OOYQRHZQSFRBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O2/c1-30(2,3)29(36)31-20-12-19-27-32-25-17-10-11-18-26(25)34(27)22-28(35)33(24-15-8-5-9-16-24)21-23-13-6-4-7-14-23/h4,6-7,10-11,13-14,17-18,24H,5,8-9,12,15-16,19-22H2,1-3H3,(H,31,36).

What are the key properties of N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide?

N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide has a molecular weight of 488.68 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16981519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).