N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide

C12H19IN4O2S — CID 120969422

IUPACN-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide
SMILESCN1CCN=C1NCc1cccc(NS(C)(=O)=O)c1.I
InChIInChI=1S/C12H18N4O2S.HI/c1-16-7-6-13-12(16)14-9-10-4-3-5-11(8-10)15-19(2,17)18;/h3-5,8,15H,6-7,9H2,1-2H3,(H,13,14);1H
InChIKeyFVWSGFFXTJKPFJ-UHFFFAOYSA-N
MW410.28 g/mol
LogP1.07
Rot. Bonds4

About N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide

N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide (PubChem CID 120969422) has the molecular formula C12H19IN4O2S and a molecular weight of 410.28 g/mol. Its IUPAC name is N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide
PubChem CID120969422
Molecular FormulaC12H19IN4O2S
Molecular Weight410.28 g/mol
Exact Mass410.03
IUPAC NameN-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide
SMILESCN1CCN=C1NCc1cccc(NS(C)(=O)=O)c1.I
InChIInChI=1S/C12H18N4O2S.HI/c1-16-7-6-13-12(16)14-9-10-4-3-5-11(8-10)15-19(2,17)18;/h3-5,8,15H,6-7,9H2,1-2H3,(H,13,14);1H
InChIKeyFVWSGFFXTJKPFJ-UHFFFAOYSA-N
XLogP1.07
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[[3-(methylsulfanylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972308
1-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970164
1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970488
1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 120970003
N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide
CID 120970750
1-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166193259
N-[3-[(4-morpholin-4-ylanilino)methyl]phenyl]methanesulfonamide
CID 171675302
4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969161
N-[3-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]phenyl]methanesulfonamide
CID 42063375
N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970582
1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095638
1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972348

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide?
The IUPAC name of N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide (CID 120969422) is N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide.
What is the SMILES notation for N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide?
The canonical SMILES for N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide is CN1CCN=C1NCc1cccc(NS(C)(=O)=O)c1.I.
What is the InChIKey of N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide?
The InChIKey is FVWSGFFXTJKPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S.HI/c1-16-7-6-13-12(16)14-9-10-4-3-5-11(8-10)15-19(2,17)18;/h3-5,8,15H,6-7,9H2,1-2H3,(H,13,14);1H.
What are the key properties of N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide?
N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide has a molecular weight of 410.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide is sourced from PubChem (CID 120969422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).