1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride

C19H23ClN2 — CID 11301496

IUPAC1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride
SMILESCc1cccc(C)c1N1C=[N+](c2c(C)cccc2C)CC1.[Cl-]
InChIInChI=1S/C19H23N2.ClH/c1-14-7-5-8-15(2)18(14)20-11-12-21(13-20)19-16(3)9-6-10-17(19)4;/h5-10,13H,11-12H2,1-4H3;1H/q+1;/p-1
InChIKeyGVJGAXQJXGJAME-UHFFFAOYSA-M
MW314.86 g/mol
LogP1.12
Rot. Bonds2

About 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride

1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride (PubChem CID 11301496) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride.

Molecular Properties

Compound Name1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride
PubChem CID11301496
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride
SMILESCc1cccc(C)c1N1C=[N+](c2c(C)cccc2C)CC1.[Cl-]
InChIInChI=1S/C19H23N2.ClH/c1-14-7-5-8-15(2)18(14)20-11-12-21(13-20)19-16(3)9-6-10-17(19)4;/h5-10,13H,11-12H2,1-4H3;1H/q+1;/p-1
InChIKeyGVJGAXQJXGJAME-UHFFFAOYSA-M
XLogP1.12
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride?
The IUPAC name of 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride (CID 11301496) is 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride.
What is the SMILES notation for 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride?
The canonical SMILES for 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride is Cc1cccc(C)c1N1C=[N+](c2c(C)cccc2C)CC1.[Cl-].
What is the InChIKey of 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride?
The InChIKey is GVJGAXQJXGJAME-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23N2.ClH/c1-14-7-5-8-15(2)18(14)20-11-12-21(13-20)19-16(3)9-6-10-17(19)4;/h5-10,13H,11-12H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride?
1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride has a molecular weight of 314.86 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride is sourced from PubChem (CID 11301496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).