4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide

C12H18N4O2S — CID 120969031

IUPAC4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
SMILESCN1CCN=C1NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N4O2S/c1-16-9-8-15-12(16)14-7-6-10-2-4-11(5-3-10)19(13,17)18/h2-5H,6-9H2,1H3,(H,14,15)(H2,13,17,18)
InChIKeyLMRQDEWLAOJIQN-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.23
Rot. Bonds4

About 4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide

4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 120969031) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID120969031
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
SMILESCN1CCN=C1NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N4O2S/c1-16-9-8-15-12(16)14-7-6-10-2-4-11(5-3-10)19(13,17)18/h2-5H,6-9H2,1H3,(H,14,15)(H2,13,17,18)
InChIKeyLMRQDEWLAOJIQN-UHFFFAOYSA-N
XLogP-0.23
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide
CID 120971940
1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971012
N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971833
4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
CID 120969489
4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide
CID 54995967
N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970051
4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112913985
1-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970164
4-[2-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922508
4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 112856046
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide (CID 120969031) is 4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide is CN1CCN=C1NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is LMRQDEWLAOJIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-16-9-8-15-12(16)14-7-6-10-2-4-11(5-3-10)19(13,17)18/h2-5H,6-9H2,1H3,(H,14,15)(H2,13,17,18).
What are the key properties of 4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 120969031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).