1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

C10H16IN3O2S2 — CID 120972348

IUPAC1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccc(S(C)(=O)=O)s1.I
InChIInChI=1S/C10H15N3O2S2.HI/c1-13-6-5-11-10(13)12-7-8-3-4-9(16-8)17(2,14)15;/h3-4H,5-7H2,1-2H3,(H,11,12);1H
InChIKeySKQSGPBLHOKCME-UHFFFAOYSA-N
MW401.30 g/mol
LogP1.16
Rot. Bonds3

About 1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972348) has the molecular formula C10H16IN3O2S2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972348
Molecular FormulaC10H16IN3O2S2
Molecular Weight401.30 g/mol
Exact Mass400.97
IUPAC Name1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccc(S(C)(=O)=O)s1.I
InChIInChI=1S/C10H15N3O2S2.HI/c1-13-6-5-11-10(13)12-7-8-3-4-9(16-8)17(2,14)15;/h3-4H,5-7H2,1-2H3,(H,11,12);1H
InChIKeySKQSGPBLHOKCME-UHFFFAOYSA-N
XLogP1.16
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972540
4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
CID 120969489
(5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride
CID 71756062
N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972439
5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 71898360
1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-diazepin-2-amine;hydroiodide
CID 154799371
N-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120973425
N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide
CID 119112903
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971466
N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 138001558
1-methyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969958
N-[2-(2-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969157

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972348) is 1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCc1ccc(S(C)(=O)=O)s1.I.
What is the InChIKey of 1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is SKQSGPBLHOKCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2.HI/c1-13-6-5-11-10(13)12-7-8-3-4-9(16-8)17(2,14)15;/h3-4H,5-7H2,1-2H3,(H,11,12);1H.
What are the key properties of 1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 401.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).