1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone

C113H142N10O8 — CID 161177068

About 1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone

1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone (PubChem CID 161177068) has the molecular formula C113H142N10O8 and a molecular weight of 1768.44 g/mol. Its IUPAC name is 1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone.

Molecular Properties

• Compound Name: 1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone
• PubChem CID: 161177068
• Molecular Formula: C113H142N10O8
• Molecular Weight: 1768.44 g/mol
• Exact Mass: 1767.10
• IUPAC Name: 1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone
• SMILES: C#Cc1cnc(C(=O)Cc2ccc(C3(C(=O)O)CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C3(N4CCCCC4)CCCC3)nc2C2=CCC(C)(C)CC2)[nH]1.COCCCC1(c2ccc(CC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CCCCC1.Cc1cnc(C(=O)Cc2ccc(C3CCC(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C30H38N4O.C30H42N2O2.C27H30N2O3.C26H32N2O2/c1-4-24-21-31-28(32-24)25(35)20-23-10-11-26(33-27(23)22-12-16-29(2,3)17-13-22)30(14-6-7-15-30)34-18-8-5-9-19-34;1-22-21-31-28(32-22)27(33)19-24-9-10-25(20-26(24)23-11-16-29(2,3)17-12-23)30(15-8-18-34-4)13-6-5-7-14-30;1-4-21-17-28-24(29-21)23(30)15-19-7-8-20(27(25(31)32)11-5-6-12-27)16-22(19)18-9-13-26(2,3)14-10-18;1-17-16-27-25(28-17)24(30)15-21-5-4-20(18-6-8-22(29)9-7-18)14-23(21)19-10-12-26(2,3)13-11-19/h1,10-12,21H,5-9,13-20H2,2-3H3,(H,31,32);9-11,20-21H,5-8,12-19H2,1-4H3,(H,31,32);1,7-9,16-17H,5-6,10-15H2,2-3H3,(H,28,29)(H,31,32);4-5,10,14,16,18H,6-9,11-13,15H2,1-3H3,(H,27,28)
• InChIKey: URYLIEKPIPDLSG-UHFFFAOYSA-N
• XLogP: 24.70
• TPSA: 262.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 26
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1768.44
LogP ≤ 5	24.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

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 1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

The IUPAC name of 1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone (CID 161177068) is 1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone.

What is the SMILES notation for 1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

The canonical SMILES for 1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone is C#Cc1cnc(C(=O)Cc2ccc(C3(C(=O)O)CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C3(N4CCCCC4)CCCC3)nc2C2=CCC(C)(C)CC2)[nH]1.COCCCC1(c2ccc(CC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CCCCC1.Cc1cnc(C(=O)Cc2ccc(C3CCC(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of 1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

The InChIKey is URYLIEKPIPDLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O.C30H42N2O2.C27H30N2O3.C26H32N2O2/c1-4-24-21-31-28(32-24)25(35)20-23-10-11-26(33-27(23)22-12-16-29(2,3)17-13-22)30(14-6-7-15-30)34-18-8-5-9-19-34;1-22-21-31-28(32-22)27(33)19-24-9-10-25(20-26(24)23-11-16-29(2,3)17-12-23)30(15-8-18-34-4)13-6-5-7-14-30;1-4-21-17-28-24(29-21)23(30)15-19-7-8-20(27(25(31)32)11-5-6-12-27)16-22(19)18-9-13-26(2,3)14-10-18;1-17-16-27-25(28-17)24(30)15-21-5-4-20(18-6-8-22(29)9-7-18)14-23(21)19-10-12-26(2,3)13-11-19/h1,10-12,21H,5-9,13-20H2,2-3H3,(H,31,32);9-11,20-21H,5-8,12-19H2,1-4H3,(H,31,32);1,7-9,16-17H,5-6,10-15H2,2-3H3,(H,28,29)(H,31,32);4-5,10,14,16,18H,6-9,11-13,15H2,1-3H3,(H,27,28).

What are the key properties of 1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone has a molecular weight of 1768.44 g/mol, XLogP of 24.70, 26 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(3-methoxypropyl)cyclohexyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-piperidin-1-ylcyclopentyl)-3-pyridinyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 161177068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).