4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine

C24H22FN3O2S — CID 18771516

IUPAC4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine
SMILESCCCn1c(-c2ccc(S(C)(=O)=O)cc2)nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C24H22FN3O2S/c1-3-16-28-23(18-12-14-26-15-13-18)22(17-4-8-20(25)9-5-17)27-24(28)19-6-10-21(11-7-19)31(2,29)30/h4-15H,3,16H2,1-2H3
InChIKeyUXLXVJWHCPKXMJ-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.23
Rot. Bonds6

About 4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine (PubChem CID 18771516) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine
PubChem CID18771516
Molecular FormulaC24H22FN3O2S
Molecular Weight435.52 g/mol
Exact Mass435.14
IUPAC Name4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine
SMILESCCCn1c(-c2ccc(S(C)(=O)=O)cc2)nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C24H22FN3O2S/c1-3-16-28-23(18-12-14-26-15-13-18)22(17-4-8-20(25)9-5-17)27-24(28)19-6-10-21(11-7-19)31(2,29)30/h4-15H,3,16H2,1-2H3
InChIKeyUXLXVJWHCPKXMJ-UHFFFAOYSA-N
XLogP5.23
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.23
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
2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid
CID 174281142
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139788743
calcium;tert-butyl (3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoate;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoate
CID 158449258
2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane
CID 118987751
2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 22911810
4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine
CID 20644660
5-(4-fluorophenyl)-1-methyl-7-(4-methylsulfonylphenyl)-3-propylpyrazolo[4,5-d]pyrimidine
CID 11517462
4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine
CID 10158473
2,4,5-tris(4-bromophenyl)-1-hexylimidazole
CID 171717136
ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 142959263

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine (CID 18771516) is 4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine is CCCn1c(-c2ccc(S(C)(=O)=O)cc2)nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine?
The InChIKey is UXLXVJWHCPKXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2S/c1-3-16-28-23(18-12-14-26-15-13-18)22(17-4-8-20(25)9-5-17)27-24(28)19-6-10-21(11-7-19)31(2,29)30/h4-15H,3,16H2,1-2H3.
What are the key properties of 4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine has a molecular weight of 435.52 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine is sourced from PubChem (CID 18771516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).