N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C13H20IN3O — CID 120969484

IUPACN-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOC(CNC1=NCCN1C)c1ccccc1.I
InChIInChI=1S/C13H19N3O.HI/c1-16-9-8-14-13(16)15-10-12(17-2)11-6-4-3-5-7-11;/h3-7,12H,8-10H2,1-2H3,(H,14,15);1H
InChIKeyBMIJATJDBWHPFG-UHFFFAOYSA-N
MW361.23 g/mol
LogP1.88
Rot. Bonds4

About N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120969484) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120969484
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC NameN-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOC(CNC1=NCCN1C)c1ccccc1.I
InChIInChI=1S/C13H19N3O.HI/c1-16-9-8-14-13(16)15-10-12(17-2)11-6-4-3-5-7-11;/h3-7,12H,8-10H2,1-2H3,(H,14,15);1H
InChIKeyBMIJATJDBWHPFG-UHFFFAOYSA-N
XLogP1.88
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969485
N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969182
N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972441
N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972982
N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 19820447
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971466
1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide
CID 120969145
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969828
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971467
N-[2-(2-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969157
1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine
CID 120972985
1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol
CID 122082808

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120969484) is N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is COC(CNC1=NCCN1C)c1ccccc1.I.
What is the InChIKey of N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is BMIJATJDBWHPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.HI/c1-16-9-8-14-13(16)15-10-12(17-2)11-6-4-3-5-7-11;/h3-7,12H,8-10H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 361.23 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120969484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).