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

C19H23N2+ — CID 11301497

IUPAC1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium
SMILESCc1cccc(C)c1N1C=[N+](c2c(C)cccc2C)CC1
InChIInChI=1S/C19H23N2/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/q+1
InChIKeyVYGLGHJLGMSOKE-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.11
Rot. Bonds2

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

1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium (PubChem CID 11301497) has the molecular formula C19H23N2+ and a molecular weight of 279.41 g/mol. Its IUPAC name is 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium
PubChem CID11301497
Molecular FormulaC19H23N2+
Molecular Weight279.41 g/mol
Exact Mass279.19
IUPAC Name1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium
SMILESCc1cccc(C)c1N1C=[N+](c2c(C)cccc2C)CC1
InChIInChI=1S/C19H23N2/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/q+1
InChIKeyVYGLGHJLGMSOKE-UHFFFAOYSA-N
XLogP4.11
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.11
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?
The IUPAC name of 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium (CID 11301497) is 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium is Cc1cccc(C)c1N1C=[N+](c2c(C)cccc2C)CC1.
What is the InChIKey of 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium?
The InChIKey is VYGLGHJLGMSOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2/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/q+1.
What are the key properties of 1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium?
1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium has a molecular weight of 279.41 g/mol, XLogP of 4.11, 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 is sourced from PubChem (CID 11301497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).