2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide

C48H64N6O2 — CID 123460425

About 2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide

2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide (PubChem CID 123460425) has the molecular formula C48H64N6O2 and a molecular weight of 757.08 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide
• PubChem CID: 123460425
• Molecular Formula: C48H64N6O2
• Molecular Weight: 757.08 g/mol
• Exact Mass: 756.51
• IUPAC Name: 2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide
• SMILES: CC(C)(C(=O)NC(c1ncc(-c2ccc(-c3ccc(-c4cnc(C(NC(=O)C(C)(C)C5=CCCCC5)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C)C1=CCCCC1
• InChI: InChI=1S/C48H64N6O2/c1-45(2,3)39(53-43(55)47(7,8)35-17-13-11-14-18-35)41-49-29-37(51-41)33-25-21-31(22-26-33)32-23-27-34(28-24-32)38-30-50-42(52-38)40(46(4,5)6)54-44(56)48(9,10)36-19-15-12-16-20-36/h17,19,21-30,39-40H,11-16,18,20H2,1-10H3,(H,49,51)(H,50,52)(H,53,55)(H,54,56)
• InChIKey: UFDGSSDZHFYWDY-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 115.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.08
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide?

The IUPAC name of 2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide (CID 123460425) is 2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide.

What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide?

The canonical SMILES for 2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide is CC(C)(C(=O)NC(c1ncc(-c2ccc(-c3ccc(-c4cnc(C(NC(=O)C(C)(C)C5=CCCCC5)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C)C1=CCCCC1.

What is the InChIKey of 2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide?

The InChIKey is UFDGSSDZHFYWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H64N6O2/c1-45(2,3)39(53-43(55)47(7,8)35-17-13-11-14-18-35)41-49-29-37(51-41)33-25-21-31(22-26-33)32-23-27-34(28-24-32)38-30-50-42(52-38)40(46(4,5)6)54-44(56)48(9,10)36-19-15-12-16-20-36/h17,19,21-30,39-40H,11-16,18,20H2,1-10H3,(H,49,51)(H,50,52)(H,53,55)(H,54,56).

What are the key properties of 2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide?

2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide has a molecular weight of 757.08 g/mol, XLogP of 11.59, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide is sourced from PubChem (CID 123460425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).