1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide

C24H33F2N3O3S — CID 146286590

IUPAC1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)cn1-c1c(F)cc(CC(C)C)cc1F
InChIInChI=1S/C24H33F2N3O3S/c1-5-22-28-21(24(30)27-13-16-6-8-18(9-7-16)33(4,31)32)14-29(22)23-19(25)11-17(10-15(2)3)12-20(23)26/h11-12,14-16,18H,5-10,13H2,1-4H3,(H,27,30)
InChIKeyAEHOBNFETGHVCV-UHFFFAOYSA-N
MW481.61 g/mol
LogP4.24
Rot. Bonds8

About 1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide

1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (PubChem CID 146286590) has the molecular formula C24H33F2N3O3S and a molecular weight of 481.61 g/mol. Its IUPAC name is 1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
PubChem CID146286590
Molecular FormulaC24H33F2N3O3S
Molecular Weight481.61 g/mol
Exact Mass481.22
IUPAC Name1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)cn1-c1c(F)cc(CC(C)C)cc1F
InChIInChI=1S/C24H33F2N3O3S/c1-5-22-28-21(24(30)27-13-16-6-8-18(9-7-16)33(4,31)32)14-29(22)23-19(25)11-17(10-15(2)3)12-20(23)26/h11-12,14-16,18H,5-10,13H2,1-4H3,(H,27,30)
InChIKeyAEHOBNFETGHVCV-UHFFFAOYSA-N
XLogP4.24
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.61
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (CID 146286590) is 1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is CCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)cn1-c1c(F)cc(CC(C)C)cc1F.
What is the InChIKey of 1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The InChIKey is AEHOBNFETGHVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N3O3S/c1-5-22-28-21(24(30)27-13-16-6-8-18(9-7-16)33(4,31)32)14-29(22)23-19(25)11-17(10-15(2)3)12-20(23)26/h11-12,14-16,18H,5-10,13H2,1-4H3,(H,27,30).
What are the key properties of 1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide has a molecular weight of 481.61 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-difluoro-4-(2-methylpropyl)phenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 146286590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).