2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

C124H169N19O10S4 — CID 160508831

About 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 160508831) has the molecular formula C124H169N19O10S4 and a molecular weight of 2214.11 g/mol. Its IUPAC name is 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
• PubChem CID: 160508831
• Molecular Formula: C124H169N19O10S4
• Molecular Weight: 2214.11 g/mol
• Exact Mass: 2212.22
• IUPAC Name: 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
• SMILES: CSCCNC(C)(C)c1ccc(NC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCS(=O)(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCS(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCSCC3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C26H36N4O3S.C26H36N4O2S.C26H36N4OS.C25H36N4OS.C21H25N3O3/c1-18-17-27-23(28-18)24(31)29-22-7-6-20(16-21(22)19-8-10-25(2,3)11-9-19)26(4,5)30-12-14-34(32,33)15-13-30;1-18-17-27-23(28-18)24(31)29-22-7-6-20(26(4,5)30-12-14-33(32)15-13-30)16-21(22)19-8-10-25(2,3)11-9-19;1-18-17-27-23(28-18)24(31)29-22-7-6-20(26(4,5)30-12-14-32-15-13-30)16-21(22)19-8-10-25(2,3)11-9-19;1-17-16-26-22(28-17)23(30)29-21-8-7-19(25(4,5)27-13-14-31-6)15-20(21)18-9-11-24(2,3)12-10-18;1-13-12-22-18(23-13)19(25)24-17-10-9-15(21(2,3)20(26)27)11-16(17)14-7-5-4-6-8-14/h6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31);6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31);6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31);7-9,15-16,27H,10-14H2,1-6H3,(H,26,28)(H,29,30);7,9-12H,4-6,8H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)
• InChIKey: QSTSZJGADUMXRD-UHFFFAOYSA-N
• XLogP: 25.28
• TPSA: 399.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2214.11
LogP ≤ 5	25.28
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The IUPAC name of 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 160508831) is 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.

What is the SMILES notation for 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The canonical SMILES for 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is CSCCNC(C)(C)c1ccc(NC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCS(=O)(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCS(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCSCC3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The InChIKey is QSTSZJGADUMXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3S.C26H36N4O2S.C26H36N4OS.C25H36N4OS.C21H25N3O3/c1-18-17-27-23(28-18)24(31)29-22-7-6-20(16-21(22)19-8-10-25(2,3)11-9-19)26(4,5)30-12-14-34(32,33)15-13-30;1-18-17-27-23(28-18)24(31)29-22-7-6-20(26(4,5)30-12-14-33(32)15-13-30)16-21(22)19-8-10-25(2,3)11-9-19;1-18-17-27-23(28-18)24(31)29-22-7-6-20(26(4,5)30-12-14-32-15-13-30)16-21(22)19-8-10-25(2,3)11-9-19;1-17-16-26-22(28-17)23(30)29-21-8-7-19(25(4,5)27-13-14-31-6)15-20(21)18-9-11-24(2,3)12-10-18;1-13-12-22-18(23-13)19(25)24-17-10-9-15(21(2,3)20(26)27)11-16(17)14-7-5-4-6-8-14/h6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31);6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31);6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31);7-9,15-16,27H,10-14H2,1-6H3,(H,26,28)(H,29,30);7,9-12H,4-6,8H2,1-3H3,(H,22,23)(H,24,25)(H,26,27).

What are the key properties of 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?

2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 2214.11 g/mol, XLogP of 25.28, 28 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 160508831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).