5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide

C24H30ClF5N4O2 — CID 153296305

About 5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide

5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide (PubChem CID 153296305) has the molecular formula C24H30ClF5N4O2 and a molecular weight of 536.97 g/mol. Its IUPAC name is 5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide
• PubChem CID: 153296305
• Molecular Formula: C24H30ClF5N4O2
• Molecular Weight: 536.97 g/mol
• Exact Mass: 536.20
• IUPAC Name: 5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide
• SMILES: CCc1nc(C(=O)NCC2CCC(C)CC2)c(Cl)n1-c1ncc(CCCC(F)(F)F)cc1OC(F)F
• InChI: InChI=1S/C24H30ClF5N4O2/c1-3-18-33-19(22(35)32-12-15-8-6-14(2)7-9-15)20(25)34(18)21-17(36-23(26)27)11-16(13-31-21)5-4-10-24(28,29)30/h11,13-15,23H,3-10,12H2,1-2H3,(H,32,35)
• InChIKey: ZXJGDKADGJESGP-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.97
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide?

The IUPAC name of 5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide (CID 153296305) is 5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide.

What is the SMILES notation for 5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide?

The canonical SMILES for 5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide is CCc1nc(C(=O)NCC2CCC(C)CC2)c(Cl)n1-c1ncc(CCCC(F)(F)F)cc1OC(F)F.

What is the InChIKey of 5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide?

The InChIKey is ZXJGDKADGJESGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClF5N4O2/c1-3-18-33-19(22(35)32-12-15-8-6-14(2)7-9-15)20(25)34(18)21-17(36-23(26)27)11-16(13-31-21)5-4-10-24(28,29)30/h11,13-15,23H,3-10,12H2,1-2H3,(H,32,35).

What are the key properties of 5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide?

5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide has a molecular weight of 536.97 g/mol, XLogP of 6.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 153296305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).