2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone

C20H20FN3OS — CID 72725226

IUPAC2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone
SMILESCc1ccc(Nn2c(SCC(=O)c3cccc(F)c3)nc(C)c2C)cc1
InChIInChI=1S/C20H20FN3OS/c1-13-7-9-18(10-8-13)23-24-15(3)14(2)22-20(24)26-12-19(25)16-5-4-6-17(21)11-16/h4-11,23H,12H2,1-3H3
InChIKeyDPQNLGSIZQXPQE-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.80
Rot. Bonds6

About 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone

2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone (PubChem CID 72725226) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone
PubChem CID72725226
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone
SMILESCc1ccc(Nn2c(SCC(=O)c3cccc(F)c3)nc(C)c2C)cc1
InChIInChI=1S/C20H20FN3OS/c1-13-7-9-18(10-8-13)23-24-15(3)14(2)22-20(24)26-12-19(25)16-5-4-6-17(21)11-16/h4-11,23H,12H2,1-3H3
InChIKeyDPQNLGSIZQXPQE-UHFFFAOYSA-N
XLogP4.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone (CID 72725226) is 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone is Cc1ccc(Nn2c(SCC(=O)c3cccc(F)c3)nc(C)c2C)cc1.
What is the InChIKey of 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone?
The InChIKey is DPQNLGSIZQXPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-13-7-9-18(10-8-13)23-24-15(3)14(2)22-20(24)26-12-19(25)16-5-4-6-17(21)11-16/h4-11,23H,12H2,1-3H3.
What are the key properties of 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone?
2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone has a molecular weight of 369.47 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 72725226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).