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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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).