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

C23H21FN4OS — CID 10905905

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2cc(-c3nc(SC)[nH]c3-c3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C23H21FN4OS/c1-29-19-9-3-15(4-10-19)14-26-20-13-17(11-12-25-20)22-21(27-23(28-22)30-2)16-5-7-18(24)8-6-16/h3-13H,14H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyBMLURWVFPXQDFS-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.62
Rot. Bonds7

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

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 10905905) has the molecular formula C23H21FN4OS and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID10905905
Molecular FormulaC23H21FN4OS
Molecular Weight420.51 g/mol
Exact Mass420.14
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2cc(-c3nc(SC)[nH]c3-c3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C23H21FN4OS/c1-29-19-9-3-15(4-10-19)14-26-20-13-17(11-12-25-20)22-21(27-23(28-22)30-2)16-5-7-18(24)8-6-16/h3-13H,14H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyBMLURWVFPXQDFS-UHFFFAOYSA-N
XLogP5.62
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (CID 10905905) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CNc2cc(-c3nc(SC)[nH]c3-c3ccc(F)cc3)ccn2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is BMLURWVFPXQDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4OS/c1-29-19-9-3-15(4-10-19)14-26-20-13-17(11-12-25-20)22-21(27-23(28-22)30-2)16-5-7-18(24)8-6-16/h3-13H,14H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 420.51 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 10905905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).