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

C19H21Br2N2+ — CID 11511196

IUPAC1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium
SMILESCc1cc(Br)cc(C)c1N1C=[N+](c2c(C)cc(Br)cc2C)CC1
InChIInChI=1S/C19H21Br2N2/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/q+1
InChIKeyDSCMOHOUNGQXTG-UHFFFAOYSA-N
MW437.20 g/mol
LogP5.64
Rot. Bonds2

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

1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium (PubChem CID 11511196) has the molecular formula C19H21Br2N2+ and a molecular weight of 437.20 g/mol. Its IUPAC name is 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium
PubChem CID11511196
Molecular FormulaC19H21Br2N2+
Molecular Weight437.20 g/mol
Exact Mass435.01
IUPAC Name1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium
SMILESCc1cc(Br)cc(C)c1N1C=[N+](c2c(C)cc(Br)cc2C)CC1
InChIInChI=1S/C19H21Br2N2/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/q+1
InChIKeyDSCMOHOUNGQXTG-UHFFFAOYSA-N
XLogP5.64
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.20
LogP ≤ 55.64
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?
The IUPAC name of 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium (CID 11511196) is 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium is Cc1cc(Br)cc(C)c1N1C=[N+](c2c(C)cc(Br)cc2C)CC1.
What is the InChIKey of 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium?
The InChIKey is DSCMOHOUNGQXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2N2/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/q+1.
What are the key properties of 1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium?
1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium has a molecular weight of 437.20 g/mol, XLogP of 5.64, 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 is sourced from PubChem (CID 11511196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).