2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline

C18H19N3OS — CID 56992031

IUPAC2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CS(=O)c1ccccc1-c1ncc[nH]1
InChIInChI=1S/C18H19N3OS/c1-21(2)16-9-5-3-7-14(16)13-23(22)17-10-6-4-8-15(17)18-19-11-12-20-18/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyNVUKBMRJNDOOKU-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.45
Rot. Bonds5

About 2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline

2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline (PubChem CID 56992031) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline
PubChem CID56992031
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CS(=O)c1ccccc1-c1ncc[nH]1
InChIInChI=1S/C18H19N3OS/c1-21(2)16-9-5-3-7-14(16)13-23(22)17-10-6-4-8-15(17)18-19-11-12-20-18/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyNVUKBMRJNDOOKU-UHFFFAOYSA-N
XLogP3.45
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline?
The IUPAC name of 2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline (CID 56992031) is 2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline is CN(C)c1ccccc1CS(=O)c1ccccc1-c1ncc[nH]1.
What is the InChIKey of 2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline?
The InChIKey is NVUKBMRJNDOOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-21(2)16-9-5-3-7-14(16)13-23(22)17-10-6-4-8-15(17)18-19-11-12-20-18/h3-12H,13H2,1-2H3,(H,19,20).
What are the key properties of 2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline?
2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline has a molecular weight of 325.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 56992031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).