4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine

C23H21FN4S — CID 10971477

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine
SMILESCSc1nc(-c2ccnc(NCCc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H21FN4S/c1-29-23-27-21(17-7-9-19(24)10-8-17)22(28-23)18-12-14-26-20(15-18)25-13-11-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,25,26)(H,27,28)
InChIKeyUETJFNLFLVHJIO-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.65
Rot. Bonds7

About 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine (PubChem CID 10971477) has the molecular formula C23H21FN4S and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine
PubChem CID10971477
Molecular FormulaC23H21FN4S
Molecular Weight404.51 g/mol
Exact Mass404.15
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine
SMILESCSc1nc(-c2ccnc(NCCc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H21FN4S/c1-29-23-27-21(17-7-9-19(24)10-8-17)22(28-23)18-12-14-26-20(15-18)25-13-11-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,25,26)(H,27,28)
InChIKeyUETJFNLFLVHJIO-UHFFFAOYSA-N
XLogP5.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine (CID 10971477) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine is CSc1nc(-c2ccnc(NCCc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine?
The InChIKey is UETJFNLFLVHJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4S/c1-29-23-27-21(17-7-9-19(24)10-8-17)22(28-23)18-12-14-26-20(15-18)25-13-11-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine has a molecular weight of 404.51 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 10971477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).