N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-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

C67H80N14O7 — CID 90904864

About N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-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-(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 90904864) has the molecular formula C67H80N14O7 and a molecular weight of 1193.47 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-(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-(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: 90904864
• Molecular Formula: C67H80N14O7
• Molecular Weight: 1193.47 g/mol
• Exact Mass: 1192.63
• IUPAC Name: N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-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: Cc1cnc(C(=O)Nc2ccc(C3(C)NCCO3)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/C23H30N4O2.C22H26N6O2.C22H24N4O3/c1-15-14-24-20(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/h5-7,13-14,25H,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)
• InChIKey: JLIXNJFEQJCQCJ-UHFFFAOYSA-N
• XLogP: 13.13
• TPSA: 255.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1193.47
LogP ≤ 5	13.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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-(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-(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 90904864) is N-[2-(cyclohexen-1-yl)-4-(2-methyl-1,3-dioxan-2-yl)phenyl]-5-isocyano-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-(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-(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 Cc1cnc(C(=O)Nc2ccc(C3(C)NCCO3)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-(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 JLIXNJFEQJCQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.C22H26N6O2.C22H24N4O3/c1-15-14-24-20(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/h5-7,13-14,25H,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).

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-(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-(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 1193.47 g/mol, XLogP of 13.13, 12 rotatable bonds, 8 hydrogen bond donors, and 13 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-(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 90904864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).