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

C12H19ClN4O3S — CID 18789619

IUPAC2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCN(C)S(=O)(=O)Nc1cccc(OCC2=NCCN2)c1.Cl
InChIInChI=1S/C12H18N4O3S.ClH/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);1H
InChIKeyAREIITMVZLHETP-UHFFFAOYSA-N
MW334.83 g/mol
LogP0.71
Rot. Bonds6

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

2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 18789619) has the molecular formula C12H19ClN4O3S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID18789619
Molecular FormulaC12H19ClN4O3S
Molecular Weight334.83 g/mol
Exact Mass334.09
IUPAC Name2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCN(C)S(=O)(=O)Nc1cccc(OCC2=NCCN2)c1.Cl
InChIInChI=1S/C12H18N4O3S.ClH/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);1H
InChIKeyAREIITMVZLHETP-UHFFFAOYSA-N
XLogP0.71
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 50.71
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;hydrochloride?
The IUPAC name of 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 18789619) is 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole;hydrochloride is CN(C)S(=O)(=O)Nc1cccc(OCC2=NCCN2)c1.Cl.
What is the InChIKey of 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is AREIITMVZLHETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S.ClH/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);1H.
What are the key properties of 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 334.83 g/mol, XLogP of 0.71, 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;hydrochloride is sourced from PubChem (CID 18789619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).