5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-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;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone

C105H116N12O8 — CID 160512870

About 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-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;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone

5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-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;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone (PubChem CID 160512870) has the molecular formula C105H116N12O8 and a molecular weight of 1674.16 g/mol. Its IUPAC name is 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-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;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone.

Molecular Properties

• Compound Name: 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-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;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone
• PubChem CID: 160512870
• Molecular Formula: C105H116N12O8
• Molecular Weight: 1674.16 g/mol
• Exact Mass: 1672.90
• IUPAC Name: 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-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;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-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)CCC(C(=O)O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(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/C28H31N3O.C28H32N2O4.C26H30N2O2.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;1-4-22-17-29-25(30-22)24(31)15-20-5-6-21(28(34)13-9-19(10-14-28)26(32)33)16-23(20)18-7-11-27(2,3)12-8-18;1-4-21-17-27-24(28-21)23(29)15-19-7-8-20(26(30)11-5-6-12-26)16-22(19)18-9-13-25(2,3)14-10-18;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/h1,8-10,17-18H,5-7,11-16H2,2-3H3,(H,30,31);1,5-7,16-17,19,34H,8-15H2,2-3H3,(H,29,30)(H,32,33);1,7-9,16-17,30H,5-6,10-15H2,2-3H3,(H,27,28);3-5,11,13H,6-10H2,1-2H3,(H,26,27)(H,28,29)
• InChIKey: QTGUZUAKLKEWCC-UHFFFAOYSA-N
• XLogP: 20.86
• TPSA: 344.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1674.16
LogP ≤ 5	20.86
H-Bond Donors ≤ 5	8
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;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

The IUPAC name of 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-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;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone (CID 160512870) is 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-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;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone.

What is the SMILES notation for 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-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;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

The canonical SMILES for 5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-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;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-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)CCC(C(=O)O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(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;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

The InChIKey is QTGUZUAKLKEWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O.C28H32N2O4.C26H30N2O2.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;1-4-22-17-29-25(30-22)24(31)15-20-5-6-21(28(34)13-9-19(10-14-28)26(32)33)16-23(20)18-7-11-27(2,3)12-8-18;1-4-21-17-27-24(28-21)23(29)15-19-7-8-20(26(30)11-5-6-12-26)16-22(19)18-9-13-25(2,3)14-10-18;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/h1,8-10,17-18H,5-7,11-16H2,2-3H3,(H,30,31);1,5-7,16-17,19,34H,8-15H2,2-3H3,(H,29,30)(H,32,33);1,7-9,16-17,30H,5-6,10-15H2,2-3H3,(H,27,28);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;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

5-cyano-N-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-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;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone has a molecular weight of 1674.16 g/mol, XLogP of 20.86, 20 rotatable bonds, 8 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;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexane-1-carbonitrile;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-4-hydroxycyclohexane-1-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 160512870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).