1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide

C17H22IN3O — CID 166367127

IUPAC1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOCCN1CCN=C1NCc1ccc2ccccc2c1.I
InChIInChI=1S/C17H21N3O.HI/c1-21-11-10-20-9-8-18-17(20)19-13-14-6-7-15-4-2-3-5-16(15)12-14;/h2-7,12H,8-11,13H2,1H3,(H,18,19);1H
InChIKeyZTWNGINLQLHPBE-UHFFFAOYSA-N
MW411.29 g/mol
LogP2.87
Rot. Bonds5

About 1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide

1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 166367127) has the molecular formula C17H22IN3O and a molecular weight of 411.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID166367127
Molecular FormulaC17H22IN3O
Molecular Weight411.29 g/mol
Exact Mass411.08
IUPAC Name1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOCCN1CCN=C1NCc1ccc2ccccc2c1.I
InChIInChI=1S/C17H21N3O.HI/c1-21-11-10-20-9-8-18-17(20)19-13-14-6-7-15-4-2-3-5-16(15)12-14;/h2-7,12H,8-11,13H2,1H3,(H,18,19);1H
InChIKeyZTWNGINLQLHPBE-UHFFFAOYSA-N
XLogP2.87
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide (CID 166367127) is 1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide is COCCN1CCN=C1NCc1ccc2ccccc2c1.I.
What is the InChIKey of 1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is ZTWNGINLQLHPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.HI/c1-21-11-10-20-9-8-18-17(20)19-13-14-6-7-15-4-2-3-5-16(15)12-14;/h2-7,12H,8-11,13H2,1H3,(H,18,19);1H.
What are the key properties of 1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 411.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 166367127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).