2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide

C94H114N14O9 — CID 159976906

About 2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide

2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide (PubChem CID 159976906) has the molecular formula C94H114N14O9 and a molecular weight of 1584.03 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide
• PubChem CID: 159976906
• Molecular Formula: C94H114N14O9
• Molecular Weight: 1584.03 g/mol
• Exact Mass: 1582.89
• IUPAC Name: 2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide
• SMILES: C#Cc1cnc(C(=O)Cc2ccc(C3(C)OCCO3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C3(C)NCCO3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C3(C)OCCN3C)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(C)NCCO3)nc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C25H33N3O2.C24H31N3O2.C23H24N2O3.C22H26N6O2/c1-17-16-26-23(27-17)22(29)14-19-6-7-20(25(4)28(5)12-13-30-25)15-21(19)18-8-10-24(2,3)11-9-18;1-16-15-25-22(27-16)21(28)13-18-5-6-19(24(4)26-11-12-29-24)14-20(18)17-7-9-23(2,3)10-8-17;1-3-19-15-24-22(25-19)21(26)13-17-9-10-18(23(2)27-11-12-28-23)14-20(17)16-7-5-4-6-8-16;1-21(2)9-7-14(8-10-21)18-15(26-20(29)19-24-13-17(23-4)28-19)5-6-16(27-18)22(3)25-11-12-30-22/h6-8,15-16H,9-14H2,1-5H3,(H,26,27);5-7,14-15,26H,8-13H2,1-4H3,(H,25,27);1,7,9-10,14-15H,4-6,8,11-13H2,2H3,(H,24,25);5-7,13,25H,8-12H2,1-3H3,(H,24,28)(H,26,29)
• InChIKey: OFGRTELLOMOHCF-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 285.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1584.03
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?

The IUPAC name of 2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide (CID 159976906) is 2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide.

What is the SMILES notation for 2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?

The canonical SMILES for 2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Cc2ccc(C3(C)OCCO3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C3(C)NCCO3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C3(C)OCCN3C)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(C)NCCO3)nc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of 2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?

The InChIKey is OFGRTELLOMOHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2.C24H31N3O2.C23H24N2O3.C22H26N6O2/c1-17-16-26-23(27-17)22(29)14-19-6-7-20(25(4)28(5)12-13-30-25)15-21(19)18-8-10-24(2,3)11-9-18;1-16-15-25-22(27-16)21(28)13-18-5-6-19(24(4)26-11-12-29-24)14-20(18)17-7-9-23(2,3)10-8-17;1-3-19-15-24-22(25-19)21(26)13-17-9-10-18(23(2)27-11-12-28-23)14-20(17)16-7-5-4-6-8-16;1-21(2)9-7-14(8-10-21)18-15(26-20(29)19-24-13-17(23-4)28-19)5-6-16(27-18)22(3)25-11-12-30-22/h6-8,15-16H,9-14H2,1-5H3,(H,26,27);5-7,14-15,26H,8-13H2,1-4H3,(H,25,27);1,7,9-10,14-15H,4-6,8,11-13H2,2H3,(H,24,25);5-7,13,25H,8-12H2,1-3H3,(H,24,28)(H,26,29).

What are the key properties of 2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?

2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide has a molecular weight of 1584.03 g/mol, XLogP of 17.39, 19 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 159976906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).