5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide

C26H35ClF3N3O4S — CID 146286504

IUPAC5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CC(C)(C)C(F)(F)F)c(OC)c1
InChIInChI=1S/C26H35ClF3N3O4S/c1-6-21-32-22(24(34)31-15-16-7-11-19(12-8-16)38(5,35)36)23(27)33(21)18-10-9-17(20(13-18)37-4)14-25(2,3)26(28,29)30/h9-10,13,16,19H,6-8,11-12,14-15H2,1-5H3,(H,31,34)
InChIKeyDYIAAEZBCANVPI-UHFFFAOYSA-N
MW578.10 g/mol
LogP5.56
Rot. Bonds9

About 5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide

5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (PubChem CID 146286504) has the molecular formula C26H35ClF3N3O4S and a molecular weight of 578.10 g/mol. Its IUPAC name is 5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
PubChem CID146286504
Molecular FormulaC26H35ClF3N3O4S
Molecular Weight578.10 g/mol
Exact Mass577.20
IUPAC Name5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CC(C)(C)C(F)(F)F)c(OC)c1
InChIInChI=1S/C26H35ClF3N3O4S/c1-6-21-32-22(24(34)31-15-16-7-11-19(12-8-16)38(5,35)36)23(27)33(21)18-10-9-17(20(13-18)37-4)14-25(2,3)26(28,29)30/h9-10,13,16,19H,6-8,11-12,14-15H2,1-5H3,(H,31,34)
InChIKeyDYIAAEZBCANVPI-UHFFFAOYSA-N
XLogP5.56
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.10
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (CID 146286504) is 5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is CCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CC(C)(C)C(F)(F)F)c(OC)c1.
What is the InChIKey of 5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The InChIKey is DYIAAEZBCANVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClF3N3O4S/c1-6-21-32-22(24(34)31-15-16-7-11-19(12-8-16)38(5,35)36)23(27)33(21)18-10-9-17(20(13-18)37-4)14-25(2,3)26(28,29)30/h9-10,13,16,19H,6-8,11-12,14-15H2,1-5H3,(H,31,34).
What are the key properties of 5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide has a molecular weight of 578.10 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 146286504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).