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

C23H21FN4O2S — CID 154699724

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
SMILESCC(Nc1cc(-c2nc(S(C)(=O)=O)[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1
InChIInChI=1S/C23H21FN4O2S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(17-8-10-19(24)11-9-17)27-23(28-22)31(2,29)30/h3-15H,1-2H3,(H,25,26)(H,27,28)
InChIKeyJXAHDPSVNVHDEW-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.85
Rot. Bonds6

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

4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine (PubChem CID 154699724) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
PubChem CID154699724
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
SMILESCC(Nc1cc(-c2nc(S(C)(=O)=O)[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1
InChIInChI=1S/C23H21FN4O2S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(17-8-10-19(24)11-9-17)27-23(28-22)31(2,29)30/h3-15H,1-2H3,(H,25,26)(H,27,28)
InChIKeyJXAHDPSVNVHDEW-UHFFFAOYSA-N
XLogP4.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.85
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-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine (CID 154699724) is 4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine is CC(Nc1cc(-c2nc(S(C)(=O)=O)[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine?
The InChIKey is JXAHDPSVNVHDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(17-8-10-19(24)11-9-17)27-23(28-22)31(2,29)30/h3-15H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine?
4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine has a molecular weight of 436.51 g/mol, XLogP of 4.85, 6 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-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 154699724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).