carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone

C105H120N12O8 — CID 176534540

About carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone

carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone (PubChem CID 176534540) has the molecular formula C105H120N12O8 and a molecular weight of 1678.19 g/mol. Its IUPAC name is carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone.

Molecular Properties

• Compound Name: carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone
• PubChem CID: 176534540
• Molecular Formula: C105H120N12O8
• Molecular Weight: 1678.19 g/mol
• Exact Mass: 1676.94
• IUPAC Name: carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone
• SMILES: C#Cc1cnc(C(=O)Cc2ccc(C3(C#N)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C3(O)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C3(O)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.O=C=O.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(C#N)CC3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C28H31N3O.C27H32N2O2.C26H34N2O2.C23H23N5O.CO2/c1-4-23-18-30-26(31-23)25(32)16-21-8-9-22(28(19-29)12-6-5-7-13-28)17-24(21)20-10-14-27(2,3)15-11-20;1-4-22-18-28-25(29-22)24(30)16-20-8-9-21(27(31)12-6-5-7-13-27)17-23(20)19-10-14-26(2,3)15-11-19;1-18-17-27-24(28-18)23(29)15-20-7-8-21(26(30)11-5-4-6-12-26)16-22(20)19-9-13-25(2,3)14-10-19;1-22(2)8-6-15(7-9-22)17-12-16(23(14-24)10-11-23)4-5-18(17)27-21(29)20-26-13-19(25-3)28-20;2-1-3/h1,8-10,17-18H,5-7,11-16H2,2-3H3,(H,30,31);1,8-10,17-18,31H,5-7,11-16H2,2-3H3,(H,28,29);7-9,16-17,30H,4-6,10-15H2,1-3H3,(H,27,28);4-6,12-13H,7-11H2,1-2H3,(H,26,28)(H,27,29)
• InChIKey: CVNBDISMMZXXNG-UHFFFAOYSA-N
• XLogP: 22.36
• TPSA: 321.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1678.19
LogP ≤ 5	22.36
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

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 carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone?

The IUPAC name of carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone (CID 176534540) is carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone.

What is the SMILES notation for carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone?

The canonical SMILES for carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone is C#Cc1cnc(C(=O)Cc2ccc(C3(C#N)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C3(O)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C3(O)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.O=C=O.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(C#N)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone?

The InChIKey is CVNBDISMMZXXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O.C27H32N2O2.C26H34N2O2.C23H23N5O.CO2/c1-4-23-18-30-26(31-23)25(32)16-21-8-9-22(28(19-29)12-6-5-7-13-28)17-24(21)20-10-14-27(2,3)15-11-20;1-4-22-18-28-25(29-22)24(30)16-20-8-9-21(27(31)12-6-5-7-13-27)17-23(20)19-10-14-26(2,3)15-11-19;1-18-17-27-24(28-18)23(29)15-20-7-8-21(26(30)11-5-4-6-12-26)16-22(20)19-9-13-25(2,3)14-10-19;1-22(2)8-6-15(7-9-22)17-12-16(23(14-24)10-11-23)4-5-18(17)27-21(29)20-26-13-19(25-3)28-20;2-1-3/h1,8-10,17-18H,5-7,11-16H2,2-3H3,(H,30,31);1,8-10,17-18,31H,5-7,11-16H2,2-3H3,(H,28,29);7-9,16-17,30H,4-6,10-15H2,1-3H3,(H,27,28);4-6,12-13H,7-11H2,1-2H3,(H,26,28)(H,27,29);.

What are the key properties of carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone?

carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone has a molecular weight of 1678.19 g/mol, XLogP of 22.36, 19 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 176534540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).