N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2-oxo-3-propyl-1,3-diazinan-5-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-diethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-diethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide

C103H129N25O9 — CID 161048241

About N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2-oxo-3-propyl-1,3-diazinan-5-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-diethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-diethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide

N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2-oxo-3-propyl-1,3-diazinan-5-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-diethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-diethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide (PubChem CID 161048241) has the molecular formula C103H129N25O9 and a molecular weight of 1861.33 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2-oxo-3-propyl-1,3-diazinan-5-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-diethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-diethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2-oxo-3-propyl-1,3-diazinan-5-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-diethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-diethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide
• PubChem CID: 161048241
• Molecular Formula: C103H129N25O9
• Molecular Weight: 1861.33 g/mol
• Exact Mass: 1860.04
• IUPAC Name: N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2-oxo-3-propyl-1,3-diazinan-5-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-diethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-diethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide
• SMILES: [C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCC(CC)(CC)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2N2CCC(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(CC)C(=O)N(CC)C3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(CCC)C(=O)N(CCO)C3)cc2C2=CCCCC2)[nH]1
• InChI: InChI=1S/2C27H34N6O2.C26H32N6O3.C23H29N7O2/c1-6-27(7-2)12-10-18(11-13-27)21-14-19(20-16-32(4)26(35)33(5)17-20)8-9-22(21)30-25(34)24-29-15-23(28-3)31-24;1-6-32-16-20(17-33(7-2)26(32)35)19-8-9-22(30-25(34)24-29-15-23(28-5)31-24)21(14-19)18-10-12-27(3,4)13-11-18;1-3-11-31-16-20(17-32(12-13-33)26(31)35)19-9-10-22(21(14-19)18-7-5-4-6-8-18)29-25(34)24-28-15-23(27-2)30-24;1-15-7-9-30(10-8-15)19-11-16(17-13-28(3)23(32)29(4)14-17)5-6-18(19)26-22(31)21-25-12-20(24-2)27-21/h8-10,14-15,20H,6-7,11-13,16-17H2,1-2,4-5H3,(H,29,31)(H,30,34);8-10,14-15,20H,6-7,11-13,16-17H2,1-4H3,(H,29,31)(H,30,34);7,9-10,14-15,20,33H,3-6,8,11-13,16-17H2,1H3,(H,28,30)(H,29,34);5-6,11-12,15,17H,7-10,13-14H2,1,3-4H3,(H,25,27)(H,26,31)
• InChIKey: UBUBARBFTMOJFZ-UHFFFAOYSA-N
• XLogP: 19.26
• TPSA: 366.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1861.33
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	9
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-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2-oxo-3-propyl-1,3-diazinan-5-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-diethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-diethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The IUPAC name of N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2-oxo-3-propyl-1,3-diazinan-5-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-diethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-diethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide (CID 161048241) is N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2-oxo-3-propyl-1,3-diazinan-5-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-diethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-diethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide.

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

The canonical SMILES for N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2-oxo-3-propyl-1,3-diazinan-5-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-diethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-diethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide is [C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCC(CC)(CC)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2N2CCC(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(CC)C(=O)N(CC)C3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(CCC)C(=O)N(CCO)C3)cc2C2=CCCCC2)[nH]1.

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

The InChIKey is UBUBARBFTMOJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H34N6O2.C26H32N6O3.C23H29N7O2/c1-6-27(7-2)12-10-18(11-13-27)21-14-19(20-16-32(4)26(35)33(5)17-20)8-9-22(21)30-25(34)24-29-15-23(28-3)31-24;1-6-32-16-20(17-33(7-2)26(32)35)19-8-9-22(30-25(34)24-29-15-23(28-5)31-24)21(14-19)18-10-12-27(3,4)13-11-18;1-3-11-31-16-20(17-32(12-13-33)26(31)35)19-9-10-22(21(14-19)18-7-5-4-6-8-18)29-25(34)24-28-15-23(27-2)30-24;1-15-7-9-30(10-8-15)19-11-16(17-13-28(3)23(32)29(4)14-17)5-6-18(19)26-22(31)21-25-12-20(24-2)27-21/h8-10,14-15,20H,6-7,11-13,16-17H2,1-2,4-5H3,(H,29,31)(H,30,34);8-10,14-15,20H,6-7,11-13,16-17H2,1-4H3,(H,29,31)(H,30,34);7,9-10,14-15,20,33H,3-6,8,11-13,16-17H2,1H3,(H,28,30)(H,29,34);5-6,11-12,15,17H,7-10,13-14H2,1,3-4H3,(H,25,27)(H,26,31).

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

N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2-oxo-3-propyl-1,3-diazinan-5-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-diethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-diethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide has a molecular weight of 1861.33 g/mol, XLogP of 19.26, 24 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2-oxo-3-propyl-1,3-diazinan-5-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-diethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-diethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 161048241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).