5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide

C98H109ClN18O14S2 — CID 162219036

About 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide

5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide (PubChem CID 162219036) has the molecular formula C98H109ClN18O14S2 and a molecular weight of 1862.65 g/mol. Its IUPAC name is 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
• PubChem CID: 162219036
• Molecular Formula: C98H109ClN18O14S2
• Molecular Weight: 1862.65 g/mol
• Exact Mass: 1860.75
• IUPAC Name: 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
• SMILES: O=C1CC(c2ccc(NC(=O)c3ncc(Cl)[nH]3)c(C3=CCC4(CCC4)CC3)c2)CC(=O)N1.[C-]#[N+]c1c[nH]c(C(=O)Nc2ccc(C3CN(C)S(=O)(=O)N(C)C3)cc2C2=CCCCC2)c1.[C-]#[N+]c1ccc(C(=O)Nc2ccc(C3CC(=O)N(CCO)C(=O)C3)cc2C2=CCC(C)(C)CC2)o1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(C)S(=O)(=O)N(C)C3)cc2C2=CCC3(CC2)CC3)[nH]1
• InChI: InChI=1S/C27H29N3O5.C24H25ClN4O3.C24H28N6O3S.C23H27N5O3S/c1-27(2)10-8-17(9-11-27)20-14-18(19-15-24(32)30(12-13-31)25(33)16-19)4-5-21(20)29-26(34)22-6-7-23(28-3)35-22;25-19-13-26-22(28-19)23(32)27-18-3-2-15(16-11-20(30)29-21(31)12-16)10-17(18)14-4-8-24(9-5-14)6-1-7-24;1-25-21-13-26-22(28-21)23(31)27-20-5-4-17(18-14-29(2)34(32,33)30(3)15-18)12-19(20)16-6-8-24(9-7-16)10-11-24;1-24-19-12-22(25-13-19)23(29)26-21-10-9-17(11-20(21)16-7-5-4-6-8-16)18-14-27(2)32(30,31)28(3)15-18/h4-8,14,19,31H,9-13,15-16H2,1-2H3,(H,29,34);2-4,10,13,16H,1,5-9,11-12H2,(H,26,28)(H,27,32)(H,29,30,31);4-6,12-13,18H,7-11,14-15H2,2-3H3,(H,26,28)(H,27,31);7,9-13,18,25H,4-6,8,14-15H2,2-3H3,(H,26,29)
• InChIKey: ZTWHFONHYODYFX-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 400.79 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1862.65
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The IUPAC name of 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide (CID 162219036) is 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The canonical SMILES for 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide is O=C1CC(c2ccc(NC(=O)c3ncc(Cl)[nH]3)c(C3=CCC4(CCC4)CC3)c2)CC(=O)N1.[C-]#[N+]c1c[nH]c(C(=O)Nc2ccc(C3CN(C)S(=O)(=O)N(C)C3)cc2C2=CCCCC2)c1.[C-]#[N+]c1ccc(C(=O)Nc2ccc(C3CC(=O)N(CCO)C(=O)C3)cc2C2=CCC(C)(C)CC2)o1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(C)S(=O)(=O)N(C)C3)cc2C2=CCC3(CC2)CC3)[nH]1.

What is the InChIKey of 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The InChIKey is ZTWHFONHYODYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5.C24H25ClN4O3.C24H28N6O3S.C23H27N5O3S/c1-27(2)10-8-17(9-11-27)20-14-18(19-15-24(32)30(12-13-31)25(33)16-19)4-5-21(20)29-26(34)22-6-7-23(28-3)35-22;25-19-13-26-22(28-19)23(32)27-18-3-2-15(16-11-20(30)29-21(31)12-16)10-17(18)14-4-8-24(9-5-14)6-1-7-24;1-25-21-13-26-22(28-21)23(31)27-20-5-4-17(18-14-29(2)34(32,33)30(3)15-18)12-19(20)16-6-8-24(9-7-16)10-11-24;1-24-19-12-22(25-13-19)23(29)26-21-10-9-17(11-20(21)16-7-5-4-6-8-16)18-14-27(2)32(30,31)28(3)15-18/h4-8,14,19,31H,9-13,15-16H2,1-2H3,(H,29,34);2-4,10,13,16H,1,5-9,11-12H2,(H,26,28)(H,27,32)(H,29,30,31);4-6,12-13,18H,7-11,14-15H2,2-3H3,(H,26,28)(H,27,31);7,9-13,18,25H,4-6,8,14-15H2,2-3H3,(H,26,29).

What are the key properties of 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide has a molecular weight of 1862.65 g/mol, XLogP of 17.22, 18 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 162219036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).