4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine

C18H19FN4S — CID 10969934

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine
SMILESCCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(N)c1
InChIInChI=1S/C18H19FN4S/c1-3-10-23-17(13-8-9-21-15(20)11-13)16(22-18(23)24-2)12-4-6-14(19)7-5-12/h4-9,11H,3,10H2,1-2H3,(H2,20,21)
InChIKeyFJUIICXYIIRUCU-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.47
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine

4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine (PubChem CID 10969934) has the molecular formula C18H19FN4S and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine
PubChem CID10969934
Molecular FormulaC18H19FN4S
Molecular Weight342.44 g/mol
Exact Mass342.13
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine
SMILESCCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(N)c1
InChIInChI=1S/C18H19FN4S/c1-3-10-23-17(13-8-9-21-15(20)11-13)16(22-18(23)24-2)12-4-6-14(19)7-5-12/h4-9,11H,3,10H2,1-2H3,(H2,20,21)
InChIKeyFJUIICXYIIRUCU-UHFFFAOYSA-N
XLogP4.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine (CID 10969934) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine is CCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(N)c1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine?
The InChIKey is FJUIICXYIIRUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4S/c1-3-10-23-17(13-8-9-21-15(20)11-13)16(22-18(23)24-2)12-4-6-14(19)7-5-12/h4-9,11H,3,10H2,1-2H3,(H2,20,21).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine has a molecular weight of 342.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 10969934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).