5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-(1-cyanocyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide

C102H113N15O8 — CID 160686172

About 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-(1-cyanocyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide

5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-(1-cyanocyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide (PubChem CID 160686172) has the molecular formula C102H113N15O8 and a molecular weight of 1677.12 g/mol. Its IUPAC name is 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-(1-cyanocyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-(1-cyanocyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
• PubChem CID: 160686172
• Molecular Formula: C102H113N15O8
• Molecular Weight: 1677.12 g/mol
• Exact Mass: 1675.89
• IUPAC Name: 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-(1-cyanocyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
• SMILES: C#Cc1cnc(C(=O)Nc2ccc(C3(C#N)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCC(C(=O)O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.CC1(C)CC=C(c2cc(C3(C#N)CC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
• InChI: InChI=1S/C27H30N4O.C27H31N3O4.C25H29N3O2.C23H23N5O/c1-4-21-17-29-24(30-21)25(32)31-23-9-8-20(27(18-28)12-6-5-7-13-27)16-22(23)19-10-14-26(2,3)15-11-19;1-4-20-16-28-23(29-20)24(31)30-22-6-5-19(27(34)13-9-18(10-14-27)25(32)33)15-21(22)17-7-11-26(2,3)12-8-17;1-4-19-16-26-22(27-19)23(29)28-21-8-7-18(25(30)11-5-6-12-25)15-20(21)17-9-13-24(2,3)14-10-17;1-22(2)7-5-15(6-8-22)18-11-16(23(14-25)9-10-23)3-4-19(18)28-21(29)20-26-13-17(12-24)27-20/h1,8-10,16-17H,5-7,11-15H2,2-3H3,(H,29,30)(H,31,32);1,5-7,15-16,18,34H,8-14H2,2-3H3,(H,28,29)(H,30,31)(H,32,33);1,7-9,15-16,30H,5-6,10-14H2,2-3H3,(H,26,27)(H,28,29);3-5,11,13H,6-10H2,1-2H3,(H,26,27)(H,28,29)
• InChIKey: ROUFVHOOAAFYAG-UHFFFAOYSA-N
• XLogP: 20.34
• TPSA: 380.25 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1677.12
LogP ≤ 5	20.34
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-(1-cyanocyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The IUPAC name of 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-(1-cyanocyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide (CID 160686172) is 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-(1-cyanocyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide.

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

The canonical SMILES for 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-(1-cyanocyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Nc2ccc(C3(C#N)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCC(C(=O)O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.CC1(C)CC=C(c2cc(C3(C#N)CC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.

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

The InChIKey is ROUFVHOOAAFYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O.C27H31N3O4.C25H29N3O2.C23H23N5O/c1-4-21-17-29-24(30-21)25(32)31-23-9-8-20(27(18-28)12-6-5-7-13-27)16-22(23)19-10-14-26(2,3)15-11-19;1-4-20-16-28-23(29-20)24(31)30-22-6-5-19(27(34)13-9-18(10-14-27)25(32)33)15-21(22)17-7-11-26(2,3)12-8-17;1-4-19-16-26-22(27-19)23(29)28-21-8-7-18(25(30)11-5-6-12-25)15-20(21)17-9-13-24(2,3)14-10-17;1-22(2)7-5-15(6-8-22)18-11-16(23(14-25)9-10-23)3-4-19(18)28-21(29)20-26-13-17(12-24)27-20/h1,8-10,16-17H,5-7,11-15H2,2-3H3,(H,29,30)(H,31,32);1,5-7,15-16,18,34H,8-14H2,2-3H3,(H,28,29)(H,30,31)(H,32,33);1,7-9,15-16,30H,5-6,10-14H2,2-3H3,(H,26,27)(H,28,29);3-5,11,13H,6-10H2,1-2H3,(H,26,27)(H,28,29).

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

5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-(1-cyanocyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide has a molecular weight of 1677.12 g/mol, XLogP of 20.34, 17 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-(1-cyanocyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 160686172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).