5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide

C12H17F2N3O2 — CID 175765358

IUPAC5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide
SMILESCOc1nc(C)c(C2CCC(F)(F)CC2)n1C(N)=O
InChIInChI=1S/C12H17F2N3O2/c1-7-9(8-3-5-12(13,14)6-4-8)17(10(15)18)11(16-7)19-2/h8H,3-6H2,1-2H3,(H2,15,18)
InChIKeyUYTVQDWYVBQCFA-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.42
Rot. Bonds2

About 5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide

5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide (PubChem CID 175765358) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide
PubChem CID175765358
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide
SMILESCOc1nc(C)c(C2CCC(F)(F)CC2)n1C(N)=O
InChIInChI=1S/C12H17F2N3O2/c1-7-9(8-3-5-12(13,14)6-4-8)17(10(15)18)11(16-7)19-2/h8H,3-6H2,1-2H3,(H2,15,18)
InChIKeyUYTVQDWYVBQCFA-UHFFFAOYSA-N
XLogP2.42
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,4-Difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide
CID 175397411
5-[2-(2,2-Difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide
CID 175765342
5-[2-(3,3-Difluorocyclobutyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide
CID 175765354
5-[2-(3,3-Difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide
CID 175765355
5-(3,3-Difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide
CID 175765364
5-Cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide
CID 175765368
2-Methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide
CID 175765332
2-Methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide
CID 175765343
2-Methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide
CID 175765359
5-Cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide
CID 175765367
5-Cyclohexyl-4-cyclopentyl-2-methoxyimidazole-1-carboxamide
CID 175765385
5-Cyclohexyl-1,4-dimethylimidazol-2-amine
CID 84113782

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide (CID 175765358) is 5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide is COc1nc(C)c(C2CCC(F)(F)CC2)n1C(N)=O.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide?
The InChIKey is UYTVQDWYVBQCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-7-9(8-3-5-12(13,14)6-4-8)17(10(15)18)11(16-7)19-2/h8H,3-6H2,1-2H3,(H2,15,18).
What are the key properties of 5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide?
5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide has a molecular weight of 273.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide is sourced from PubChem (CID 175765358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).