3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide

C19H18FN3OS — CID 71888264

IUPAC3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CSc2ncc(-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C19H18FN3OS/c1-23(2)18(24)15-5-3-4-13(10-15)12-25-19-21-11-17(22-19)14-6-8-16(20)9-7-14/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyXDLIIZCNJPIHRM-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.21
Rot. Bonds5

About 3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide

3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide (PubChem CID 71888264) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide
PubChem CID71888264
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CSc2ncc(-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C19H18FN3OS/c1-23(2)18(24)15-5-3-4-13(10-15)12-25-19-21-11-17(22-19)14-6-8-16(20)9-7-14/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyXDLIIZCNJPIHRM-UHFFFAOYSA-N
XLogP4.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Fluoro-phenyl)-2-(5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide
CID 1116757
N-[4-[[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]-2-pyridinyl]amino]phenyl]-3-(prop-2-enoylamino)benzamide
CID 137637551
2-[[4-(2-anilino-4-pyridinyl)-5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 137637913
N-[2-[[4-(2-anilino-4-pyridinyl)-5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]prop-2-enamide
CID 137639513
4-(p-CO-NH2)-2[[2-[4-imidazolyl]Et]S]imidazole
CID 10018468
3-(2-{[2-(1H-Imidazol-5-yl)ethyl]sulfanyl}-1H-imidazol-5-yl)benzamide
CID 11723102
4-((1H-imidazol-2-ylthio)methyl)-N-(2-aminophenyl)benzamide
CID 9923301
2-(2,4-Difluoro-phenyl)-N-[5-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-N-heptyl-acetamide
CID 10099937
3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(4-phenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-urea
CID 11756225
2-(4-fluorophenyl)-N-(4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)acetamide
CID 50899367
2-(1-Benzoyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-N-p-tolyl-acetamide
CID 1374972
N-(2,4-Dimethyl-phenyl)-2-[1-(4-methyl-benzoyl)-5-phenyl-1H-imidazol-2-ylsulfanyl]-acetamide
CID 3134298

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide (CID 71888264) is 3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CSc2ncc(-c3ccc(F)cc3)[nH]2)c1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide?
The InChIKey is XDLIIZCNJPIHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-23(2)18(24)15-5-3-4-13(10-15)12-25-19-21-11-17(22-19)14-6-8-16(20)9-7-14/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide?
3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 71888264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).