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

C26H21FN4S — CID 24905961

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine
SMILESCSc1nc(-c2ccnc(NCc3cccc4ccccc34)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C26H21FN4S/c1-32-26-30-24(18-9-11-21(27)12-10-18)25(31-26)19-13-14-28-23(15-19)29-16-20-7-4-6-17-5-2-3-8-22(17)20/h2-15H,16H2,1H3,(H,28,29)(H,30,31)
InChIKeyAHRXEPUOUQLFCZ-UHFFFAOYSA-N
MW440.55 g/mol
LogP6.76
Rot. Bonds6

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

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine (PubChem CID 24905961) has the molecular formula C26H21FN4S and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine
PubChem CID24905961
Molecular FormulaC26H21FN4S
Molecular Weight440.55 g/mol
Exact Mass440.15
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine
SMILESCSc1nc(-c2ccnc(NCc3cccc4ccccc34)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C26H21FN4S/c1-32-26-30-24(18-9-11-21(27)12-10-18)25(31-26)19-13-14-28-23(15-19)29-16-20-7-4-6-17-5-2-3-8-22(17)20/h2-15H,16H2,1H3,(H,28,29)(H,30,31)
InChIKeyAHRXEPUOUQLFCZ-UHFFFAOYSA-N
XLogP6.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 56.76
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-(naphthalen-1-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine (CID 24905961) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine is CSc1nc(-c2ccnc(NCc3cccc4ccccc34)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
The InChIKey is AHRXEPUOUQLFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4S/c1-32-26-30-24(18-9-11-21(27)12-10-18)25(31-26)19-13-14-28-23(15-19)29-16-20-7-4-6-17-5-2-3-8-22(17)20/h2-15H,16H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine has a molecular weight of 440.55 g/mol, XLogP of 6.76, 6 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-(naphthalen-1-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 24905961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).