N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide

C93H112N22O8 — CID 123311826

About N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide

N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide (PubChem CID 123311826) has the molecular formula C93H112N22O8 and a molecular weight of 1666.06 g/mol. Its IUPAC name is N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide
• PubChem CID: 123311826
• Molecular Formula: C93H112N22O8
• Molecular Weight: 1666.06 g/mol
• Exact Mass: 1664.90
• IUPAC Name: N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide
• SMILES: Cc1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3CNC(=O)NC3)cc2C2=CCCCC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCCCC2)[nH]1
• InChI: InChI=1S/C25H30N6O2.C24H31N5O2.C23H26N6O2.C21H25N5O2/c1-25(2)10-8-16(9-11-25)19-12-17(18-14-30(4)24(33)31(5)15-18)6-7-20(19)28-23(32)22-27-13-21(26-3)29-22;1-16-13-25-22(26-16)23(30)27-21-11-10-18(19-14-28(2)24(31)29(3)15-19)12-20(21)17-8-6-4-5-7-9-17;1-24-20-12-25-21(27-20)22(30)26-19-10-9-16(11-18(19)15-7-5-4-6-8-15)17-13-28(2)23(31)29(3)14-17;1-13-10-22-19(25-13)20(27)26-18-8-7-15(16-11-23-21(28)24-12-16)9-17(18)14-5-3-2-4-6-14/h6-8,12-13,18H,9-11,14-15H2,1-2,4-5H3,(H,27,29)(H,28,32);8,10-13,19H,4-7,9,14-15H2,1-3H3,(H,25,26)(H,27,30);7,9-12,17H,4-6,8,13-14H2,2-3H3,(H,25,27)(H,26,30);5,7-10,16H,2-4,6,11-12H2,1H3,(H,22,25)(H,26,27)(H2,23,24,28)
• InChIKey: DXCAKHSICPHNDZ-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 351.62 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1666.06
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The IUPAC name of N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide (CID 123311826) is N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3CNC(=O)NC3)cc2C2=CCCCC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCCCC2)[nH]1.

What is the InChIKey of N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The InChIKey is DXCAKHSICPHNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2.C24H31N5O2.C23H26N6O2.C21H25N5O2/c1-25(2)10-8-16(9-11-25)19-12-17(18-14-30(4)24(33)31(5)15-18)6-7-20(19)28-23(32)22-27-13-21(26-3)29-22;1-16-13-25-22(26-16)23(30)27-21-11-10-18(19-14-28(2)24(31)29(3)15-19)12-20(21)17-8-6-4-5-7-9-17;1-24-20-12-25-21(27-20)22(30)26-19-10-9-16(11-18(19)15-7-5-4-6-8-15)17-13-28(2)23(31)29(3)14-17;1-13-10-22-19(25-13)20(27)26-18-8-7-15(16-11-23-21(28)24-12-16)9-17(18)14-5-3-2-4-6-14/h6-8,12-13,18H,9-11,14-15H2,1-2,4-5H3,(H,27,29)(H,28,32);8,10-13,19H,4-7,9,14-15H2,1-3H3,(H,25,26)(H,27,30);7,9-12,17H,4-6,8,13-14H2,2-3H3,(H,25,27)(H,26,30);5,7-10,16H,2-4,6,11-12H2,1H3,(H,22,25)(H,26,27)(H2,23,24,28).

What are the key properties of N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide?

N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide has a molecular weight of 1666.06 g/mol, XLogP of 16.86, 16 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 123311826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).