2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole

C12H13FN2OS — CID 114532219

IUPAC2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole
SMILESCn1ccnc1CCS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS/c1-15-8-7-14-12(15)6-9-17(16)11-4-2-10(13)3-5-11/h2-5,7-8H,6,9H2,1H3
InChIKeySARLAAGJBJBHLY-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.91
Rot. Bonds4

About 2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole

2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole (PubChem CID 114532219) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole
PubChem CID114532219
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole
SMILESCn1ccnc1CCS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS/c1-15-8-7-14-12(15)6-9-17(16)11-4-2-10(13)3-5-11/h2-5,7-8H,6,9H2,1H3
InChIKeySARLAAGJBJBHLY-UHFFFAOYSA-N
XLogP1.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[2-(1-methylimidazol-2-yl)ethylsulfinyl]benzoic acid
CID 114530978
5-methyl-2-[2-(1-methylimidazol-2-yl)ethylsulfinyl]aniline
CID 114533054
4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
2-(fluoromethyl)-1-methylimidazole
CID 11679811
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529771
1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole
CID 75433232
4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664864
azane;1-methyl-2-propylimidazole
CID 174525892
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530517

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole?
The IUPAC name of 2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole (CID 114532219) is 2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole?
The canonical SMILES for 2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole is Cn1ccnc1CCS(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole?
The InChIKey is SARLAAGJBJBHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-15-8-7-14-12(15)6-9-17(16)11-4-2-10(13)3-5-11/h2-5,7-8H,6,9H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole?
2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole has a molecular weight of 252.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)sulfinylethyl]-1-methylimidazole is sourced from PubChem (CID 114532219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).