N-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide

C24H20FN3OS — CID 4126514

IUPACN-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H20FN3OS/c1-17-7-5-6-10-22(17)28-15-21(18-8-3-2-4-9-18)27-24(28)30-16-23(29)26-20-13-11-19(25)12-14-20/h2-15H,16H2,1H3,(H,26,29)
InChIKeySALURVQYDBKFHE-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.72
Rot. Bonds6

About N-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide

N-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide (PubChem CID 4126514) has the molecular formula C24H20FN3OS and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
PubChem CID4126514
Molecular FormulaC24H20FN3OS
Molecular Weight417.51 g/mol
Exact Mass417.13
IUPAC NameN-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H20FN3OS/c1-17-7-5-6-10-22(17)28-15-21(18-8-3-2-4-9-18)27-24(28)30-16-23(29)26-20-13-11-19(25)12-14-20/h2-15H,16H2,1H3,(H,26,29)
InChIKeySALURVQYDBKFHE-UHFFFAOYSA-N
XLogP5.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide (CID 4126514) is N-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide is Cc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
The InChIKey is SALURVQYDBKFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3OS/c1-17-7-5-6-10-22(17)28-15-21(18-8-3-2-4-9-18)27-24(28)30-16-23(29)26-20-13-11-19(25)12-14-20/h2-15H,16H2,1H3,(H,26,29).
What are the key properties of N-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide has a molecular weight of 417.51 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4126514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).