cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine

C33H42CdF4N6O2 — CID 172618557

About cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine

cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine (PubChem CID 172618557) has the molecular formula C33H42CdF4N6O2 and a molecular weight of 743.14 g/mol. Its IUPAC name is cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine.

Molecular Properties

• Compound Name: cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine
• PubChem CID: 172618557
• Molecular Formula: C33H42CdF4N6O2
• Molecular Weight: 743.14 g/mol
• Exact Mass: 744.23
• IUPAC Name: cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine
• SMILES: CC.CNC.[Cd].[H]/N=C/C(=N\C=C\c1ccc2c(c1)nc(C)n2C)C1CCCC(C(=O)Nc2ccc(C(F)(F)F)cc2F)[C@@H]1C(=C)O
• InChI: InChI=1S/C29H29F4N5O2.C2H7N.C2H6.Cd/c1-16(39)27-20(25(15-34)35-12-11-18-7-10-26-24(13-18)36-17(2)38(26)3)5-4-6-21(27)28(40)37-23-9-8-19(14-22(23)30)29(31,32)33;1-3-2;1-2;/h7-15,20-21,27,34,39H,1,4-6H2,2-3H3,(H,37,40);3H,1-2H3;1-2H3;/b12-11+,34-15+,35-25+;;;/t20?,21?,27-;;;/m1.../s1
• InChIKey: GGYWNLVSZPXLJZ-OPVLGNGESA-N
• XLogP: 7.70
• TPSA: 115.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.14
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine?

The IUPAC name of cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine (CID 172618557) is cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine.

What is the SMILES notation for cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine?

The canonical SMILES for cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine is CC.CNC.[Cd].[H]/N=C/C(=N\C=C\c1ccc2c(c1)nc(C)n2C)C1CCCC(C(=O)Nc2ccc(C(F)(F)F)cc2F)[C@@H]1C(=C)O.

What is the InChIKey of cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine?

The InChIKey is GGYWNLVSZPXLJZ-OPVLGNGESA-N. The full InChI is InChI=1S/C29H29F4N5O2.C2H7N.C2H6.Cd/c1-16(39)27-20(25(15-34)35-12-11-18-7-10-26-24(13-18)36-17(2)38(26)3)5-4-6-21(27)28(40)37-23-9-8-19(14-22(23)30)29(31,32)33;1-3-2;1-2;/h7-15,20-21,27,34,39H,1,4-6H2,2-3H3,(H,37,40);3H,1-2H3;1-2H3;/b12-11+,34-15+,35-25+;;;/t20?,21?,27-;;;/m1.../s1.

What are the key properties of cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine?

cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine has a molecular weight of 743.14 g/mol, XLogP of 7.70, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cadmium;(2R)-3-[N-[(E)-2-(1,2-dimethylbenzimidazol-5-yl)ethenyl]-C-methanimidoylcarbonimidoyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(1-hydroxyethenyl)cyclohexane-1-carboxamide;ethane;N-methylmethanamine is sourced from PubChem (CID 172618557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).