N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

C19H17F2N3OS — CID 3522823

IUPACN-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H17F2N3OS/c1-12-7-13(2)9-15(8-12)24-6-5-22-19(24)26-11-18(25)23-17-4-3-14(20)10-16(17)21/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyQFSLVVOEFNIDKZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.50
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 3522823) has the molecular formula C19H17F2N3OS and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID3522823
Molecular FormulaC19H17F2N3OS
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H17F2N3OS/c1-12-7-13(2)9-15(8-12)24-6-5-22-19(24)26-11-18(25)23-17-4-3-14(20)10-16(17)21/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyQFSLVVOEFNIDKZ-UHFFFAOYSA-N
XLogP4.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (CID 3522823) is N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is QFSLVVOEFNIDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3OS/c1-12-7-13(2)9-15(8-12)24-6-5-22-19(24)26-11-18(25)23-17-4-3-14(20)10-16(17)21/h3-10H,11H2,1-2H3,(H,23,25).
What are the key properties of N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 373.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3522823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).