1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole

C17H23FN2O2S — CID 126802422

IUPAC1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole
SMILESCCCCn1c(S(=O)(=O)C(C)c2ccccc2F)nc(C)c1C
InChIInChI=1S/C17H23FN2O2S/c1-5-6-11-20-13(3)12(2)19-17(20)23(21,22)14(4)15-9-7-8-10-16(15)18/h7-10,14H,5-6,11H2,1-4H3
InChIKeyFPPFKEKMRJWEIL-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.97
Rot. Bonds6

About 1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole

1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole (PubChem CID 126802422) has the molecular formula C17H23FN2O2S and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole
PubChem CID126802422
Molecular FormulaC17H23FN2O2S
Molecular Weight338.45 g/mol
Exact Mass338.15
IUPAC Name1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole
SMILESCCCCn1c(S(=O)(=O)C(C)c2ccccc2F)nc(C)c1C
InChIInChI=1S/C17H23FN2O2S/c1-5-6-11-20-13(3)12(2)19-17(20)23(21,22)14(4)15-9-7-8-10-16(15)18/h7-10,14H,5-6,11H2,1-4H3
InChIKeyFPPFKEKMRJWEIL-UHFFFAOYSA-N
XLogP3.97
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-4,5-dimethyl-2-phenylimidazole
CID 122623668
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-phenylpropan-1-one
CID 55590413
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 31038790
N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 146353198
1-dodecyl-4,5-dimethyl-2-phenylimidazole
CID 20532413
5-bromo-1-butyl-N-[(1S)-1-(2-fluorophenyl)propyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide
CID 58307463
1-(2-fluorophenyl)ethyl trifluoromethanesulfonate
CID 102621600
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
N-benzyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylbutanamide
CID 75868884
1-fluoro-2-pentyl-3-propan-2-ylbenzene
CID 173336304
2-(2-fluorophenyl)heptanoic acid
CID 79439623

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole?
The IUPAC name of 1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole (CID 126802422) is 1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole.
What is the SMILES notation for 1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole?
The canonical SMILES for 1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole is CCCCn1c(S(=O)(=O)C(C)c2ccccc2F)nc(C)c1C.
What is the InChIKey of 1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole?
The InChIKey is FPPFKEKMRJWEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2S/c1-5-6-11-20-13(3)12(2)19-17(20)23(21,22)14(4)15-9-7-8-10-16(15)18/h7-10,14H,5-6,11H2,1-4H3.
What are the key properties of 1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole?
1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole has a molecular weight of 338.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[1-(2-fluorophenyl)ethylsulfonyl]-4,5-dimethylimidazole is sourced from PubChem (CID 126802422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).