N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate

C131H161N19O15 — CID 160615903

About N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate

N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate (PubChem CID 160615903) has the molecular formula C131H161N19O15 and a molecular weight of 2241.85 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate
• PubChem CID: 160615903
• Molecular Formula: C131H161N19O15
• Molecular Weight: 2241.85 g/mol
• Exact Mass: 2240.24
• IUPAC Name: N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate
• SMILES: COC1(OC)CCC(O)(c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.COC1(OC)CCC(c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCC(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(C#N)CCC(C(=O)OC)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3([N+]#[C-])CCC(O)CC3)cc2C2=CCCCC2)[nH]1
• InChI: InChI=1S/C28H31N5O3.C27H37N3O4.C27H37N3O3.C25H31N3O3.C24H25N5O2/c1-27(2)11-7-18(8-12-27)21-15-20(28(17-29)13-9-19(10-14-28)26(35)36-4)5-6-22(21)32-25(34)24-31-16-23(30-3)33-24;1-18-17-28-23(29-18)24(31)30-22-7-6-20(16-21(22)19-8-10-25(2,3)11-9-19)26(32)12-14-27(33-4,34-5)15-13-26;1-18-17-28-24(29-18)25(31)30-23-7-6-21(19-10-14-27(32-4,33-5)15-11-19)16-22(23)20-8-12-26(2,3)13-9-20;1-16-15-26-22(27-16)23(30)28-21-5-4-18(25(31)12-8-19(29)9-13-25)14-20(21)17-6-10-24(2,3)11-7-17;1-25-21-15-27-22(29-21)23(31)28-20-9-8-17(14-19(20)16-6-4-3-5-7-16)24(26-2)12-10-18(30)11-13-24/h5-7,15-16,19H,8-14H2,1-2,4H3,(H,31,33)(H,32,34);6-8,16-17,32H,9-15H2,1-5H3,(H,28,29)(H,30,31);6-8,16-17,19H,9-15H2,1-5H3,(H,28,29)(H,30,31);4-6,14-15,31H,7-13H2,1-3H3,(H,26,27)(H,28,30);6,8-9,14-15,18,30H,3-5,7,10-13H2,(H,27,29)(H,28,31)
• InChIKey: RGBVZKZWCDLDSG-UHFFFAOYSA-N
• XLogP: 27.57
• TPSA: 466.75 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2241.85
LogP ≤ 5	27.57
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate?

The IUPAC name of N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate (CID 160615903) is N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate.

What is the SMILES notation for N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate?

The canonical SMILES for N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate is COC1(OC)CCC(O)(c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.COC1(OC)CCC(c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCC(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(C#N)CCC(C(=O)OC)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3([N+]#[C-])CCC(O)CC3)cc2C2=CCCCC2)[nH]1.

What is the InChIKey of N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate?

The InChIKey is RGBVZKZWCDLDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3.C27H37N3O4.C27H37N3O3.C25H31N3O3.C24H25N5O2/c1-27(2)11-7-18(8-12-27)21-15-20(28(17-29)13-9-19(10-14-28)26(35)36-4)5-6-22(21)32-25(34)24-31-16-23(30-3)33-24;1-18-17-28-23(29-18)24(31)30-22-7-6-20(16-21(22)19-8-10-25(2,3)11-9-19)26(32)12-14-27(33-4,34-5)15-13-26;1-18-17-28-24(29-18)25(31)30-23-7-6-21(19-10-14-27(32-4,33-5)15-11-19)16-22(23)20-8-12-26(2,3)13-9-20;1-16-15-26-22(27-16)23(30)28-21-5-4-18(25(31)12-8-19(29)9-13-25)14-20(21)17-6-10-24(2,3)11-7-17;1-25-21-15-27-22(29-21)23(31)28-20-9-8-17(14-19(20)16-6-4-3-5-7-16)24(26-2)12-10-18(30)11-13-24/h5-7,15-16,19H,8-14H2,1-2,4H3,(H,31,33)(H,32,34);6-8,16-17,32H,9-15H2,1-5H3,(H,28,29)(H,30,31);6-8,16-17,19H,9-15H2,1-5H3,(H,28,29)(H,30,31);4-6,14-15,31H,7-13H2,1-3H3,(H,26,27)(H,28,30);6,8-9,14-15,18,30H,3-5,7,10-13H2,(H,27,29)(H,28,31).

What are the key properties of N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate?

N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate has a molecular weight of 2241.85 g/mol, XLogP of 27.57, 25 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1-isocyanocyclohexyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(4,4-dimethoxycyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;methyl 4-cyano-4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-isocyano-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 160615903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).