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

C18H22IN3 — CID 120969182

IUPACN-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC(c1ccccc1)c1ccccc1.I
InChIInChI=1S/C18H21N3.HI/c1-21-13-12-19-18(21)20-14-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16;/h2-11,17H,12-14H2,1H3,(H,19,20);1H
InChIKeyJREVRERDRALOOW-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.33
Rot. Bonds4

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

N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120969182) has the molecular formula C18H22IN3 and a molecular weight of 407.30 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120969182
Molecular FormulaC18H22IN3
Molecular Weight407.30 g/mol
Exact Mass407.09
IUPAC NameN-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC(c1ccccc1)c1ccccc1.I
InChIInChI=1S/C18H21N3.HI/c1-21-13-12-19-18(21)20-14-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16;/h2-11,17H,12-14H2,1H3,(H,19,20);1H
InChIKeyJREVRERDRALOOW-UHFFFAOYSA-N
XLogP3.33
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120969182) is N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCC(c1ccccc1)c1ccccc1.I.
What is the InChIKey of N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is JREVRERDRALOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3.HI/c1-21-13-12-19-18(21)20-14-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16;/h2-11,17H,12-14H2,1H3,(H,19,20);1H.
What are the key properties of N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 407.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120969182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).