N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide

C134H164N18O16 — CID 160893116

About N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide

N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide (PubChem CID 160893116) has the molecular formula C134H164N18O16 and a molecular weight of 2282.90 g/mol. Its IUPAC name is N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
• PubChem CID: 160893116
• Molecular Formula: C134H164N18O16
• Molecular Weight: 2282.90 g/mol
• Exact Mass: 2281.26
• IUPAC Name: N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
• SMILES: C#Cc1cnc(C(=O)Nc2ccc(C3(N)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(NCCOC)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(OCC(=O)O)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(OCCN(C)C)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C29H38N4O3.C28H36N4O3.C27H31N3O5.C25H30N4O2.C25H29N3O3/c1-6-23-20-30-26(31-23)27(34)32-25-8-7-22(19-24(25)21-9-11-28(2,3)12-10-21)29(13-16-35-17-14-29)36-18-15-33(4)5;1-5-22-19-29-25(31-22)26(33)32-24-7-6-21(18-23(24)20-8-10-27(2,3)11-9-20)28(30-14-17-34-4)12-15-35-16-13-28;1-4-20-16-28-24(29-20)25(33)30-22-6-5-19(15-21(22)18-7-9-26(2,3)10-8-18)27(35-17-23(31)32)11-13-34-14-12-27;1-4-19-16-27-22(28-19)23(30)29-21-6-5-18(25(26)11-13-31-14-12-25)15-20(21)17-7-9-24(2,3)10-8-17;1-4-19-16-26-22(27-19)23(29)28-21-6-5-18(25(30)11-13-31-14-12-25)15-20(21)17-7-9-24(2,3)10-8-17/h1,7-9,19-20H,10-18H2,2-5H3,(H,30,31)(H,32,34);1,6-8,18-19,30H,9-17H2,2-4H3,(H,29,31)(H,32,33);1,5-7,15-16H,8-14,17H2,2-3H3,(H,28,29)(H,30,33)(H,31,32);1,5-7,15-16H,8-14,26H2,2-3H3,(H,27,28)(H,29,30);1,5-7,15-16,30H,8-14H2,2-3H3,(H,26,27)(H,28,29)
• InChIKey: SONMLXZPRNXGSJ-UHFFFAOYSA-N
• XLogP: 22.08
• TPSA: 461.56 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2282.90
LogP ≤ 5	22.08
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The IUPAC name of N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide (CID 160893116) is N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Nc2ccc(C3(N)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(NCCOC)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(OCC(=O)O)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(OCCN(C)C)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The InChIKey is SONMLXZPRNXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3.C28H36N4O3.C27H31N3O5.C25H30N4O2.C25H29N3O3/c1-6-23-20-30-26(31-23)27(34)32-25-8-7-22(19-24(25)21-9-11-28(2,3)12-10-21)29(13-16-35-17-14-29)36-18-15-33(4)5;1-5-22-19-29-25(31-22)26(33)32-24-7-6-21(18-23(24)20-8-10-27(2,3)11-9-20)28(30-14-17-34-4)12-15-35-16-13-28;1-4-20-16-28-24(29-20)25(33)30-22-6-5-19(15-21(22)18-7-9-26(2,3)10-8-18)27(35-17-23(31)32)11-13-34-14-12-27;1-4-19-16-27-22(28-19)23(30)29-21-6-5-18(25(26)11-13-31-14-12-25)15-20(21)17-7-9-24(2,3)10-8-17;1-4-19-16-26-22(27-19)23(29)28-21-6-5-18(25(30)11-13-31-14-12-25)15-20(21)17-7-9-24(2,3)10-8-17/h1,7-9,19-20H,10-18H2,2-5H3,(H,30,31)(H,32,34);1,6-8,18-19,30H,9-17H2,2-4H3,(H,29,31)(H,32,33);1,5-7,15-16H,8-14,17H2,2-3H3,(H,28,29)(H,30,33)(H,31,32);1,5-7,15-16H,8-14,26H2,2-3H3,(H,27,28)(H,29,30);1,5-7,15-16,30H,8-14H2,2-3H3,(H,26,27)(H,28,29).

What are the key properties of N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide has a molecular weight of 2282.90 g/mol, XLogP of 22.08, 31 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 160893116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).