2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole

C12H18N4O3S — CID 18789620

IUPAC2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole
SMILESCN(C)S(=O)(=O)Nc1cccc(OCC2=NCCN2)c1
InChIInChI=1S/C12H18N4O3S/c1-16(2)20(17,18)15-10-4-3-5-11(8-10)19-9-12-13-6-7-14-12/h3-5,8,15H,6-7,9H2,1-2H3,(H,13,14)
InChIKeyUJCSASSFMBJAGX-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.29
Rot. Bonds6

About 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole

2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole (PubChem CID 18789620) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole
PubChem CID18789620
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole
SMILESCN(C)S(=O)(=O)Nc1cccc(OCC2=NCCN2)c1
InChIInChI=1S/C12H18N4O3S/c1-16(2)20(17,18)15-10-4-3-5-11(8-10)19-9-12-13-6-7-14-12/h3-5,8,15H,6-7,9H2,1-2H3,(H,13,14)
InChIKeyUJCSASSFMBJAGX-UHFFFAOYSA-N
XLogP0.29
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole (CID 18789620) is 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole is CN(C)S(=O)(=O)Nc1cccc(OCC2=NCCN2)c1.
What is the InChIKey of 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is UJCSASSFMBJAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-16(2)20(17,18)15-10-4-3-5-11(8-10)19-9-12-13-6-7-14-12/h3-5,8,15H,6-7,9H2,1-2H3,(H,13,14).
What are the key properties of 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole?
2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 298.37 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 18789620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).