5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole

C19H19FN2O3S — CID 50980699

IUPAC5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole
SMILESCOc1cccc(-c2c(-c3ccccc3)ncn2CCS(C)(=O)=O)c1F
InChIInChI=1S/C19H19FN2O3S/c1-25-16-10-6-9-15(17(16)20)19-18(14-7-4-3-5-8-14)21-13-22(19)11-12-26(2,23)24/h3-10,13H,11-12H2,1-2H3
InChIKeyBJWXRAFOZNBAOB-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.41
Rot. Bonds6

About 5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole

5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole (PubChem CID 50980699) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole.

Molecular Properties

Compound Name5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole
PubChem CID50980699
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole
SMILESCOc1cccc(-c2c(-c3ccccc3)ncn2CCS(C)(=O)=O)c1F
InChIInChI=1S/C19H19FN2O3S/c1-25-16-10-6-9-15(17(16)20)19-18(14-7-4-3-5-8-14)21-13-22(19)11-12-26(2,23)24/h3-10,13H,11-12H2,1-2H3
InChIKeyBJWXRAFOZNBAOB-UHFFFAOYSA-N
XLogP3.41
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole
CID 50962744
1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole
CID 95135192
methyl 4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]butanoate
CID 50953356
1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole
CID 154843244
methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate
CID 50972369
4,5-diphenyl-1-propylimidazole
CID 14950648
2-[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)imidazol-1-yl]-N-methylethanesulfonamide
CID 169414043
2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid
CID 70737056
5-[(2S)-2-(5-methylfuran-2-yl)propyl]-1-(2-methylsulfonylethyl)-4-phenylimidazole
CID 95137551
4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 173256042
5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62019226
3-(2-fluoro-3-methoxyphenyl)benzoic acid
CID 53216650

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole?
The IUPAC name of 5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole (CID 50980699) is 5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole.
What is the SMILES notation for 5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole?
The canonical SMILES for 5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole is COc1cccc(-c2c(-c3ccccc3)ncn2CCS(C)(=O)=O)c1F.
What is the InChIKey of 5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole?
The InChIKey is BJWXRAFOZNBAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-25-16-10-6-9-15(17(16)20)19-18(14-7-4-3-5-8-14)21-13-22(19)11-12-26(2,23)24/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole?
5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole has a molecular weight of 374.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole is sourced from PubChem (CID 50980699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).