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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

C128H149N17O10 — CID 159464418

About 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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 159464418) has the molecular formula C128H149N17O10 and a molecular weight of 2085.71 g/mol. Its IUPAC name is 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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: 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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
• PubChem CID: 159464418
• Molecular Formula: C128H149N17O10
• Molecular Weight: 2085.71 g/mol
• Exact Mass: 2084.17
• IUPAC Name: 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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
• SMILES: C#Cc1cnc(C(=O)Cc2ccc(C3(C#N)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCC(C(=O)O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3CCC(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(C#N)CC3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C28H31N3O.C26H33N3O4.C26H31N3O2.C25H31N3O2.C23H23N5O/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;1-16-15-27-22(28-16)23(30)29-21-5-4-19(26(33)12-8-18(9-13-26)24(31)32)14-20(21)17-6-10-25(2,3)11-7-17;1-4-20-17-27-23(28-20)24(30)29-22-9-8-19(26(31)12-6-5-7-13-26)16-21(22)18-10-14-25(2,3)15-11-18;1-16-15-26-23(27-16)24(30)28-22-9-6-19(17-4-7-20(29)8-5-17)14-21(22)18-10-12-25(2,3)13-11-18;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/h1,8-10,17-18H,5-7,11-16H2,2-3H3,(H,30,31);4-6,14-15,18,33H,7-13H2,1-3H3,(H,27,28)(H,29,30)(H,31,32);1,8-10,16-17,31H,5-7,11-15H2,2-3H3,(H,27,28)(H,29,30);6,9-10,14-15,17H,4-5,7-8,11-13H2,1-3H3,(H,26,27)(H,28,30);4-6,12-13H,7-11H2,1-2H3,(H,26,28)(H,27,29)
• InChIKey: LUZOXSXOHMFSPO-UHFFFAOYSA-N
• XLogP: 27.70
• TPSA: 423.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.71
LogP ≤ 5	27.70
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	16

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 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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The IUPAC name of 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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 159464418) is 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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.

What is the SMILES notation for 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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The canonical SMILES for 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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Cc2ccc(C3(C#N)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCC(C(=O)O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3CCC(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(C#N)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of 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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The InChIKey is LUZOXSXOHMFSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O.C26H33N3O4.C26H31N3O2.C25H31N3O2.C23H23N5O/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;1-16-15-27-22(28-16)23(30)29-21-5-4-19(26(33)12-8-18(9-13-26)24(31)32)14-20(21)17-6-10-25(2,3)11-7-17;1-4-20-17-27-23(28-20)24(30)29-22-9-8-19(26(31)12-6-5-7-13-26)16-21(22)18-10-14-25(2,3)15-11-18;1-16-15-26-23(27-16)24(30)28-22-9-6-19(17-4-7-20(29)8-5-17)14-21(22)18-10-12-25(2,3)13-11-18;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/h1,8-10,17-18H,5-7,11-16H2,2-3H3,(H,30,31);4-6,14-15,18,33H,7-13H2,1-3H3,(H,27,28)(H,29,30)(H,31,32);1,8-10,16-17,31H,5-7,11-15H2,2-3H3,(H,27,28)(H,29,30);6,9-10,14-15,17H,4-5,7-8,11-13H2,1-3H3,(H,26,27)(H,28,30);4-6,12-13H,7-11H2,1-2H3,(H,26,28)(H,27,29).

What are the key properties of 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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?

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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 2085.71 g/mol, XLogP of 27.70, 22 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclohexyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 159464418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).