(Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one

C24H23FN2O3S — CID 142276547

IUPAC(Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one
SMILESC=Cn1c(/C(=C\C)CC(C)=O)nc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H23FN2O3S/c1-5-17(15-16(3)28)24-26-22(18-9-13-21(14-10-18)31(4,29)30)23(27(24)6-2)19-7-11-20(25)12-8-19/h5-14H,2,15H2,1,3-4H3/b17-5-
InChIKeyRJTSQHAQSNXMHF-ZWSORDCHSA-N
MW438.52 g/mol
LogP5.24
Rot. Bonds7

About (Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one

(Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one (PubChem CID 142276547) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is (Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one.

Molecular Properties

Compound Name(Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one
PubChem CID142276547
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC Name(Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one
SMILESC=Cn1c(/C(=C\C)CC(C)=O)nc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H23FN2O3S/c1-5-17(15-16(3)28)24-26-22(18-9-13-21(14-10-18)31(4,29)30)23(27(24)6-2)19-7-11-20(25)12-8-19/h5-14H,2,15H2,1,3-4H3/b17-5-
InChIKeyRJTSQHAQSNXMHF-ZWSORDCHSA-N
XLogP5.24
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole
CID 18463709
1-[(Z)-3-ethenylpent-3-enyl]-4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole
CID 142955584
4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine
CID 18771516
[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] acetate
CID 67644928
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139788743
[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate
CID 57275344
1-[5-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)pyrrol-1-yl]ethanone
CID 10071673
3-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanoic acid
CID 11949393
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-phenoxy-1-prop-2-enylpyrazole
CID 18409450
methyl 4-(4-fluorophenyl)-2-methylsulfonyl-6-propan-2-ylpyrimidine-5-carboxylate
CID 24865513
5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54150112
2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 22911810

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one?
The IUPAC name of (Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one (CID 142276547) is (Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one.
What is the SMILES notation for (Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one?
The canonical SMILES for (Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one is C=Cn1c(/C(=C\C)CC(C)=O)nc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of (Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one?
The InChIKey is RJTSQHAQSNXMHF-ZWSORDCHSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c1-5-17(15-16(3)28)24-26-22(18-9-13-21(14-10-18)31(4,29)30)23(27(24)6-2)19-7-11-20(25)12-8-19/h5-14H,2,15H2,1,3-4H3/b17-5-.
What are the key properties of (Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one?
(Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one has a molecular weight of 438.52 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[1-ethenyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)imidazol-2-yl]hex-4-en-2-one is sourced from PubChem (CID 142276547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).