1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone

C20H19F2N3OS — CID 72725228

IUPAC1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone
SMILESCc1ccc(Nn2c(SCC(=O)c3ccc(F)c(F)c3)nc(C)c2C)cc1
InChIInChI=1S/C20H19F2N3OS/c1-12-4-7-16(8-5-12)24-25-14(3)13(2)23-20(25)27-11-19(26)15-6-9-17(21)18(22)10-15/h4-10,24H,11H2,1-3H3
InChIKeyJNXLWYYLLNRGMZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.94
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone

1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone (PubChem CID 72725228) has the molecular formula C20H19F2N3OS and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone
PubChem CID72725228
Molecular FormulaC20H19F2N3OS
Molecular Weight387.46 g/mol
Exact Mass387.12
IUPAC Name1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone
SMILESCc1ccc(Nn2c(SCC(=O)c3ccc(F)c(F)c3)nc(C)c2C)cc1
InChIInChI=1S/C20H19F2N3OS/c1-12-4-7-16(8-5-12)24-25-14(3)13(2)23-20(25)27-11-19(26)15-6-9-17(21)18(22)10-15/h4-10,24H,11H2,1-3H3
InChIKeyJNXLWYYLLNRGMZ-UHFFFAOYSA-N
XLogP4.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone (CID 72725228) is 1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone is Cc1ccc(Nn2c(SCC(=O)c3ccc(F)c(F)c3)nc(C)c2C)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone?
The InChIKey is JNXLWYYLLNRGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3OS/c1-12-4-7-16(8-5-12)24-25-14(3)13(2)23-20(25)27-11-19(26)15-6-9-17(21)18(22)10-15/h4-10,24H,11H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone?
1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone has a molecular weight of 387.46 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 72725228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).