N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

C12H17N3O2S — CID 120970051

IUPACN-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17N3O2S/c1-15-9-7-13-12(15)14-8-10-18(16,17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14)
InChIKeyUGZFOZZPUYBWJB-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.35
Rot. Bonds4

About N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120970051) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120970051
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17N3O2S/c1-15-9-7-13-12(15)14-8-10-18(16,17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14)
InChIKeyUGZFOZZPUYBWJB-UHFFFAOYSA-N
XLogP0.35
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970696
4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
CID 120969489
N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969182
N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 19820447
N-[2-(benzenesulfonyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112973
N-[2-(2-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969157
3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide
CID 120969198
N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide
CID 120971740
1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971012
2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine
CID 143882421
2-(benzenesulfonyl)-N-methylethanamine;hydrochloride
CID 155973548
1-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970164

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120970051) is N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is UGZFOZZPUYBWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-15-9-7-13-12(15)14-8-10-18(16,17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 267.35 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120970051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).