2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide

C24H19ClFN3OS — CID 3305037

IUPAC2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H19ClFN3OS/c1-16-2-12-21(13-3-16)29-14-22(17-4-6-18(25)7-5-17)28-24(29)31-15-23(30)27-20-10-8-19(26)9-11-20/h2-14H,15H2,1H3,(H,27,30)
InChIKeyOPMFNLWCHHCPRP-UHFFFAOYSA-N
MW451.95 g/mol
LogP6.37
Rot. Bonds6

About 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide

2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 3305037) has the molecular formula C24H19ClFN3OS and a molecular weight of 451.95 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID3305037
Molecular FormulaC24H19ClFN3OS
Molecular Weight451.95 g/mol
Exact Mass451.09
IUPAC Name2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H19ClFN3OS/c1-16-2-12-21(13-3-16)29-14-22(17-4-6-18(25)7-5-17)28-24(29)31-15-23(30)27-20-10-8-19(26)9-11-20/h2-14H,15H2,1H3,(H,27,30)
InChIKeyOPMFNLWCHHCPRP-UHFFFAOYSA-N
XLogP6.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.95
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide (CID 3305037) is 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide is Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is OPMFNLWCHHCPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3OS/c1-16-2-12-21(13-3-16)29-14-22(17-4-6-18(25)7-5-17)28-24(29)31-15-23(30)27-20-10-8-19(26)9-11-20/h2-14H,15H2,1H3,(H,27,30).
What are the key properties of 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 451.95 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3305037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).