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

C101H124F3N21O10 — CID 159122664

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

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-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-methyl-1H-pyrrole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 159122664) has the molecular formula C101H124F3N21O10 and a molecular weight of 1849.23 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-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-methyl-1H-pyrrole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid.

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-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-methyl-1H-pyrrole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 159122664
• Molecular Formula: C101H124F3N21O10
• Molecular Weight: 1849.23 g/mol
• Exact Mass: 1847.98
• 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-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-methyl-1H-pyrrole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1c[nH]c(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCCCCC2)c1.Cc1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCCCCC2)[nH]1.O=C(O)C(F)(F)F.[C-]#[N+]c1cn(C)c(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCC(C)(C)CC2)n1.[C-]#[N+]c1cn(C)c(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCCCC2)n1
• InChI: InChI=1S/C26H32N6O2.C25H32N4O2.C24H28N6O2.C24H31N5O2.C2HF3O2/c1-26(2)11-9-17(10-12-26)20-13-18(19-14-31(5)25(34)32(6)15-19)7-8-21(20)28-24(33)23-29-22(27-3)16-30(23)4;1-17-12-23(26-14-17)24(30)27-22-11-10-19(20-15-28(2)25(31)29(3)16-20)13-21(22)18-8-6-4-5-7-9-18;1-25-21-15-28(2)22(27-21)23(31)26-20-11-10-17(12-19(20)16-8-6-5-7-9-16)18-13-29(3)24(32)30(4)14-18;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;3-2(4,5)1(6)7/h7-9,13,16,19H,10-12,14-15H2,1-2,4-6H3,(H,28,33);8,10-14,20,26H,4-7,9,15-16H2,1-3H3,(H,27,30);8,10-12,15,18H,5-7,9,13-14H2,2-4H3,(H,26,31);8,10-13,19H,4-7,9,14-15H2,1-3H3,(H,25,26)(H,27,30);(H,6,7)
• InChIKey: ZYDXCAIKXFLGLM-UHFFFAOYSA-N
• XLogP: 19.19
• TPSA: 336.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1849.23
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

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

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-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-methyl-1H-pyrrole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 159122664) 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-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-methyl-1H-pyrrole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid.

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

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-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-methyl-1H-pyrrole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1c[nH]c(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCCCCC2)c1.Cc1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCCCCC2)[nH]1.O=C(O)C(F)(F)F.[C-]#[N+]c1cn(C)c(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCC(C)(C)CC2)n1.[C-]#[N+]c1cn(C)c(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCCCC2)n1.

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

The InChIKey is ZYDXCAIKXFLGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2.C25H32N4O2.C24H28N6O2.C24H31N5O2.C2HF3O2/c1-26(2)11-9-17(10-12-26)20-13-18(19-14-31(5)25(34)32(6)15-19)7-8-21(20)28-24(33)23-29-22(27-3)16-30(23)4;1-17-12-23(26-14-17)24(30)27-22-11-10-19(20-15-28(2)25(31)29(3)16-20)13-21(22)18-8-6-4-5-7-9-18;1-25-21-15-28(2)22(27-21)23(31)26-20-11-10-17(12-19(20)16-8-6-5-7-9-16)18-13-29(3)24(32)30(4)14-18;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;3-2(4,5)1(6)7/h7-9,13,16,19H,10-12,14-15H2,1-2,4-6H3,(H,28,33);8,10-14,20,26H,4-7,9,15-16H2,1-3H3,(H,27,30);8,10-12,15,18H,5-7,9,13-14H2,2-4H3,(H,26,31);8,10-13,19H,4-7,9,14-15H2,1-3H3,(H,25,26)(H,27,30);(H,6,7).

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

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-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-methyl-1H-pyrrole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 1849.23 g/mol, XLogP of 19.19, 16 rotatable bonds, 7 hydrogen bond donors, and 14 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-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-methyl-1H-pyrrole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-isocyano-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159122664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).