1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride

C19H23ClN2 — CID 5351813

IUPAC1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride
SMILESCC1=NCC[N+]1(CCc1ccccc1)Cc1ccccc1.[Cl-]
InChIInChI=1S/C19H23N2.ClH/c1-17-20-13-15-21(17,16-19-10-6-3-7-11-19)14-12-18-8-4-2-5-9-18;/h2-11H,12-16H2,1H3;1H/q+1;/p-1
InChIKeyXUTNFWDFLZLMSD-UHFFFAOYSA-M
MW314.86 g/mol
LogP0.68
Rot. Bonds5

About 1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride

1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride (PubChem CID 5351813) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride.

Molecular Properties

Compound Name1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride
PubChem CID5351813
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride
SMILESCC1=NCC[N+]1(CCc1ccccc1)Cc1ccccc1.[Cl-]
InChIInChI=1S/C19H23N2.ClH/c1-17-20-13-15-21(17,16-19-10-6-3-7-11-19)14-12-18-8-4-2-5-9-18;/h2-11H,12-16H2,1H3;1H/q+1;/p-1
InChIKeyXUTNFWDFLZLMSD-UHFFFAOYSA-M
XLogP0.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride?
The IUPAC name of 1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride (CID 5351813) is 1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride.
What is the SMILES notation for 1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride?
The canonical SMILES for 1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride is CC1=NCC[N+]1(CCc1ccccc1)Cc1ccccc1.[Cl-].
What is the InChIKey of 1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride?
The InChIKey is XUTNFWDFLZLMSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23N2.ClH/c1-17-20-13-15-21(17,16-19-10-6-3-7-11-19)14-12-18-8-4-2-5-9-18;/h2-11H,12-16H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride?
1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride has a molecular weight of 314.86 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium chloride is sourced from PubChem (CID 5351813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).