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

C19H21Br2ClN2 — CID 11511195

IUPAC1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride
SMILESCc1cc(Br)cc(C)c1N1C=[N+](c2c(C)cc(Br)cc2C)CC1.[Cl-]
InChIInChI=1S/C19H21Br2N2.ClH/c1-12-7-16(20)8-13(2)18(12)22-5-6-23(11-22)19-14(3)9-17(21)10-15(19)4;/h7-11H,5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyFQWMFGWHBRYDSJ-UHFFFAOYSA-M
MW472.65 g/mol
LogP2.64
Rot. Bonds2

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

1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride (PubChem CID 11511195) has the molecular formula C19H21Br2ClN2 and a molecular weight of 472.65 g/mol. Its IUPAC name is 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride.

Molecular Properties

Compound Name1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride
PubChem CID11511195
Molecular FormulaC19H21Br2ClN2
Molecular Weight472.65 g/mol
Exact Mass469.98
IUPAC Name1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride
SMILESCc1cc(Br)cc(C)c1N1C=[N+](c2c(C)cc(Br)cc2C)CC1.[Cl-]
InChIInChI=1S/C19H21Br2N2.ClH/c1-12-7-16(20)8-13(2)18(12)22-5-6-23(11-22)19-14(3)9-17(21)10-15(19)4;/h7-11H,5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyFQWMFGWHBRYDSJ-UHFFFAOYSA-M
XLogP2.64
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.65
LogP ≤ 52.64
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(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride?
The IUPAC name of 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride (CID 11511195) is 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride.
What is the SMILES notation for 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride?
The canonical SMILES for 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride is Cc1cc(Br)cc(C)c1N1C=[N+](c2c(C)cc(Br)cc2C)CC1.[Cl-].
What is the InChIKey of 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride?
The InChIKey is FQWMFGWHBRYDSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21Br2N2.ClH/c1-12-7-16(20)8-13(2)18(12)22-5-6-23(11-22)19-14(3)9-17(21)10-15(19)4;/h7-11H,5-6H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride?
1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride has a molecular weight of 472.65 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride is sourced from PubChem (CID 11511195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).