2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium

C19H22ClN2+ — CID 122646856

IUPAC2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium
SMILESCc1cc(C)c([N+]2=C(Cl)N(c3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C19H22ClN2/c1-13-11-15(3)18(16(4)12-13)22-10-9-21(19(22)20)17-8-6-5-7-14(17)2/h5-8,11-12H,9-10H2,1-4H3/q+1
InChIKeyQDFMVRHNYVQMMO-UHFFFAOYSA-N
MW313.85 g/mol
LogP4.68
Rot. Bonds2

About 2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium

2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium (PubChem CID 122646856) has the molecular formula C19H22ClN2+ and a molecular weight of 313.85 g/mol. Its IUPAC name is 2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium.

Molecular Properties

Compound Name2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium
PubChem CID122646856
Molecular FormulaC19H22ClN2+
Molecular Weight313.85 g/mol
Exact Mass313.15
IUPAC Name2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium
SMILESCc1cc(C)c([N+]2=C(Cl)N(c3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C19H22ClN2/c1-13-11-15(3)18(16(4)12-13)22-10-9-21(19(22)20)17-8-6-5-7-14(17)2/h5-8,11-12H,9-10H2,1-4H3/q+1
InChIKeyQDFMVRHNYVQMMO-UHFFFAOYSA-N
XLogP4.68
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-amine
CID 102142824
bis(2,4,6-trimethylphenyl)boranyl-[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-dichloroboranuide
CID 135074188
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium
CID 54523952
7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium
CID 166010787
benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium
CID 87319781
2-methyl-1-(2-methylphenyl)-4,5-dihydroimidazole
CID 67968169
4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride
CID 173073236
1-(2-methylphenyl)diazetidine;hydrate
CID 142118290
7-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinoline
CID 18846762
N-(2-chloro-4,6-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185945
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium?
The IUPAC name of 2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium (CID 122646856) is 2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium.
What is the SMILES notation for 2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium?
The canonical SMILES for 2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium is Cc1cc(C)c([N+]2=C(Cl)N(c3ccccc3C)CC2)c(C)c1.
What is the InChIKey of 2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium?
The InChIKey is QDFMVRHNYVQMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN2/c1-13-11-15(3)18(16(4)12-13)22-10-9-21(19(22)20)17-8-6-5-7-14(17)2/h5-8,11-12H,9-10H2,1-4H3/q+1.
What are the key properties of 2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium?
2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium has a molecular weight of 313.85 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium is sourced from PubChem (CID 122646856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).