N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide

C113H135N21O12 — CID 159897604

About N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide

N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide (PubChem CID 159897604) has the molecular formula C113H135N21O12 and a molecular weight of 1979.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide
• PubChem CID: 159897604
• Molecular Formula: C113H135N21O12
• Molecular Weight: 1979.46 g/mol
• Exact Mass: 1978.06
• IUPAC Name: N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide
• SMILES: C#Cc1cnc(C(=O)Nc2ccc(C3(C)OCCO3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(C)NCCO3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(C)OCCN3C)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(C)NCCO3)nc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(C)OCCCO3)cc2C2=CCCCC2)[nH]1
• InChI: InChI=1S/C24H32N4O2.C23H30N4O2.C22H26N6O2.C22H24N4O3.C22H23N3O3/c1-16-15-25-21(26-16)22(29)27-20-7-6-18(24(4)28(5)12-13-30-24)14-19(20)17-8-10-23(2,3)11-9-17;1-15-14-24-20(26-15)21(28)27-19-6-5-17(23(4)25-11-12-29-23)13-18(19)16-7-9-22(2,3)10-8-16;1-21(2)9-7-14(8-10-21)18-15(26-20(29)19-24-13-17(23-4)28-19)5-6-16(27-18)22(3)25-11-12-30-22;1-22(28-11-6-12-29-22)16-9-10-18(17(13-16)15-7-4-3-5-8-15)25-21(27)20-24-14-19(23-2)26-20;1-3-17-14-23-20(24-17)21(26)25-19-10-9-16(22(2)27-11-12-28-22)13-18(19)15-7-5-4-6-8-15/h6-8,14-15H,9-13H2,1-5H3,(H,25,26)(H,27,29);5-7,13-14,25H,8-12H2,1-4H3,(H,24,26)(H,27,28);5-7,13,25H,8-12H2,1-3H3,(H,24,28)(H,26,29);7,9-10,13-14H,3-6,8,11-12H2,1H3,(H,24,26)(H,25,27);1,7,9-10,13-14H,4-6,8,11-12H2,2H3,(H,23,24)(H,25,26)
• InChIKey: NVNVQQJTVITNEN-UHFFFAOYSA-N
• XLogP: 21.65
• TPSA: 402.42 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1979.46
LogP ≤ 5	21.65
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

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-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?

The IUPAC name of N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide (CID 159897604) is N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Nc2ccc(C3(C)OCCO3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(C)NCCO3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(C)OCCN3C)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(C)NCCO3)nc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(C)OCCCO3)cc2C2=CCCCC2)[nH]1.

What is the InChIKey of N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?

The InChIKey is NVNVQQJTVITNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2.C23H30N4O2.C22H26N6O2.C22H24N4O3.C22H23N3O3/c1-16-15-25-21(26-16)22(29)27-20-7-6-18(24(4)28(5)12-13-30-24)14-19(20)17-8-10-23(2,3)11-9-17;1-15-14-24-20(26-15)21(28)27-19-6-5-17(23(4)25-11-12-29-23)13-18(19)16-7-9-22(2,3)10-8-16;1-21(2)9-7-14(8-10-21)18-15(26-20(29)19-24-13-17(23-4)28-19)5-6-16(27-18)22(3)25-11-12-30-22;1-22(28-11-6-12-29-22)16-9-10-18(17(13-16)15-7-4-3-5-8-15)25-21(27)20-24-14-19(23-2)26-20;1-3-17-14-23-20(24-17)21(26)25-19-10-9-16(22(2)27-11-12-28-22)13-18(19)15-7-5-4-6-8-15/h6-8,14-15H,9-13H2,1-5H3,(H,25,26)(H,27,29);5-7,13-14,25H,8-12H2,1-4H3,(H,24,26)(H,27,28);5-7,13,25H,8-12H2,1-3H3,(H,24,28)(H,26,29);7,9-10,13-14H,3-6,8,11-12H2,1H3,(H,24,26)(H,25,27);1,7,9-10,13-14H,4-6,8,11-12H2,2H3,(H,23,24)(H,25,26).

What are the key properties of N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?

N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide has a molecular weight of 1979.46 g/mol, XLogP of 21.65, 20 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-methyl-1,3-oxazolidin-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 159897604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).