4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine

C18H16FN3S — CID 11834344

IUPAC4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C1CC1
InChIInChI=1S/C18H16FN3S/c1-23-18-21-16(12-2-4-14(19)5-3-12)17(22(18)15-6-7-15)13-8-10-20-11-9-13/h2-5,8-11,15H,6-7H2,1H3
InChIKeyNWKQQELJOCFTGO-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.81
Rot. Bonds4

About 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine

4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine (PubChem CID 11834344) has the molecular formula C18H16FN3S and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine
PubChem CID11834344
Molecular FormulaC18H16FN3S
Molecular Weight325.41 g/mol
Exact Mass325.10
IUPAC Name4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C1CC1
InChIInChI=1S/C18H16FN3S/c1-23-18-21-16(12-2-4-14(19)5-3-12)17(22(18)15-6-7-15)13-8-10-20-11-9-13/h2-5,8-11,15H,6-7H2,1H3
InChIKeyNWKQQELJOCFTGO-UHFFFAOYSA-N
XLogP4.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine?
The IUPAC name of 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine (CID 11834344) is 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine?
The canonical SMILES for 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine is CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C1CC1.
What is the InChIKey of 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine?
The InChIKey is NWKQQELJOCFTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3S/c1-23-18-21-16(12-2-4-14(19)5-3-12)17(22(18)15-6-7-15)13-8-10-20-11-9-13/h2-5,8-11,15H,6-7H2,1H3.
What are the key properties of 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine?
4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine has a molecular weight of 325.41 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine is sourced from PubChem (CID 11834344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).