1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride

C12H17ClN2 — CID 67523509

IUPAC1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride
SMILESC[NH+]1C=CN(CCc2ccccc2)C1.[Cl-]
InChIInChI=1S/C12H16N2.ClH/c1-13-9-10-14(11-13)8-7-12-5-3-2-4-6-12;/h2-6,9-10H,7-8,11H2,1H3;1H
InChIKeyYGCVRQQBEIWIRX-UHFFFAOYSA-N
MW224.74 g/mol
LogP-2.51
Rot. Bonds3

About 1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride

1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride (PubChem CID 67523509) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride.

Molecular Properties

Compound Name1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride
PubChem CID67523509
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride
SMILESC[NH+]1C=CN(CCc2ccccc2)C1.[Cl-]
InChIInChI=1S/C12H16N2.ClH/c1-13-9-10-14(11-13)8-7-12-5-3-2-4-6-12;/h2-6,9-10H,7-8,11H2,1H3;1H
InChIKeyYGCVRQQBEIWIRX-UHFFFAOYSA-N
XLogP-2.51
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 5-2.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+)
CID 177422301
methanesulfonate;1-methyl-3-propyl-1,2-dihydroimidazol-1-ium
CID 77134620
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
1-(2-phenylethyl)-1,3,5-triazinane
CID 126970923
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride
CID 23624134
benzene;2-phenylethylbenzene
CID 18982764
4,5-dimethyl-1-oxido-3-(2-phenylethyl)imidazol-1-ium
CID 11148640
1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 2187415
triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane
CID 175604345
ethane;methane;2-phenylethylbenzene
CID 158652330
1-ethyl-3-(2-phenylethyl)-1,2-dihydrobenzimidazol-1-ium iodide
CID 71375203
5-methyl-1-(2-phenylethyl)pyrazole
CID 10419930

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride?
The IUPAC name of 1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride (CID 67523509) is 1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride.
What is the SMILES notation for 1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride?
The canonical SMILES for 1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride is C[NH+]1C=CN(CCc2ccccc2)C1.[Cl-].
What is the InChIKey of 1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride?
The InChIKey is YGCVRQQBEIWIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.ClH/c1-13-9-10-14(11-13)8-7-12-5-3-2-4-6-12;/h2-6,9-10H,7-8,11H2,1H3;1H.
What are the key properties of 1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride?
1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride has a molecular weight of 224.74 g/mol, XLogP of -2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride is sourced from PubChem (CID 67523509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).