N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide

C113H149N17O8 — CID 161266401

About N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide

N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide (PubChem CID 161266401) has the molecular formula C113H149N17O8 and a molecular weight of 1873.55 g/mol. Its IUPAC name is N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide
• PubChem CID: 161266401
• Molecular Formula: C113H149N17O8
• Molecular Weight: 1873.55 g/mol
• Exact Mass: 1872.18
• IUPAC Name: N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide
• SMILES: C#Cc1cnc(C(=O)Nc2ccc(C3CCC(N(CC)CC)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCC(N(C)C)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(O)CC4CCC(C4)C3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(O)CCC(N(C)CCOC)CC3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C30H40N4O.C29H39N5O3.C27H32N4O2.C27H38N4O2/c1-6-24-20-31-28(32-24)29(35)33-27-14-11-23(19-26(27)22-15-17-30(4,5)18-16-22)21-9-12-25(13-10-21)34(7-2)8-3;1-28(2)12-8-20(9-13-28)23-18-21(29(36)14-10-22(11-15-29)34(4)16-17-37-5)6-7-24(23)32-27(35)26-31-19-25(30-3)33-26;1-26(2)10-8-19(9-11-26)21-13-20(27(33)14-17-4-5-18(12-17)15-27)6-7-22(21)30-25(32)24-29-16-23(28-3)31-24;1-18-17-28-24(29-18)25(32)30-23-7-6-20(27(33)14-10-21(11-15-27)31(4)5)16-22(23)19-8-12-26(2,3)13-9-19/h1,11,14-15,19-21,25H,7-10,12-13,16-18H2,2-5H3,(H,31,32)(H,33,35);6-8,18-19,22,36H,9-17H2,1-2,4-5H3,(H,31,33)(H,32,35);6-8,13,16-18,33H,4-5,9-12,14-15H2,1-2H3,(H,29,31)(H,30,32);6-8,16-17,21,33H,9-15H2,1-5H3,(H,28,29)(H,30,32)
• InChIKey: VDGACBSKVDSGPT-UHFFFAOYSA-N
• XLogP: 23.58
• TPSA: 319.48 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1873.55
LogP ≤ 5	23.58
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	15

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-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The IUPAC name of N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide (CID 161266401) is N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Nc2ccc(C3CCC(N(CC)CC)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCC(N(C)C)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(O)CC4CCC(C4)C3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(O)CCC(N(C)CCOC)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The InChIKey is VDGACBSKVDSGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O.C29H39N5O3.C27H32N4O2.C27H38N4O2/c1-6-24-20-31-28(32-24)29(35)33-27-14-11-23(19-26(27)22-15-17-30(4,5)18-16-22)21-9-12-25(13-10-21)34(7-2)8-3;1-28(2)12-8-20(9-13-28)23-18-21(29(36)14-10-22(11-15-29)34(4)16-17-37-5)6-7-24(23)32-27(35)26-31-19-25(30-3)33-26;1-26(2)10-8-19(9-11-26)21-13-20(27(33)14-17-4-5-18(12-17)15-27)6-7-22(21)30-25(32)24-29-16-23(28-3)31-24;1-18-17-28-24(29-18)25(32)30-23-7-6-20(27(33)14-10-21(11-15-27)31(4)5)16-22(23)19-8-12-26(2,3)13-9-19/h1,11,14-15,19-21,25H,7-10,12-13,16-18H2,2-5H3,(H,31,32)(H,33,35);6-8,18-19,22,36H,9-17H2,1-2,4-5H3,(H,31,33)(H,32,35);6-8,13,16-18,33H,4-5,9-12,14-15H2,1-2H3,(H,29,31)(H,30,32);6-8,16-17,21,33H,9-15H2,1-5H3,(H,28,29)(H,30,32).

What are the key properties of N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide?

N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide has a molecular weight of 1873.55 g/mol, XLogP of 23.58, 24 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-hydroxy-4-[2-methoxyethyl(methyl)amino]cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 161266401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).