1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide

C15H13BrCl2N2 — CID 10523289

IUPAC1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide
SMILESClc1ccc(N2C=[N+](c3ccc(Cl)cc3)CC2)cc1.[Br-]
InChIInChI=1S/C15H13Cl2N2.BrH/c16-12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(17)4-8-15;/h1-8,11H,9-10H2;1H/q+1;/p-1
InChIKeyJOMOSCJXHCULFX-UHFFFAOYSA-M
MW372.09 g/mol
LogP1.19
Rot. Bonds2

About 1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide

1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide (PubChem CID 10523289) has the molecular formula C15H13BrCl2N2 and a molecular weight of 372.09 g/mol. Its IUPAC name is 1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide.

Molecular Properties

Compound Name1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide
PubChem CID10523289
Molecular FormulaC15H13BrCl2N2
Molecular Weight372.09 g/mol
Exact Mass369.96
IUPAC Name1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide
SMILESClc1ccc(N2C=[N+](c3ccc(Cl)cc3)CC2)cc1.[Br-]
InChIInChI=1S/C15H13Cl2N2.BrH/c16-12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(17)4-8-15;/h1-8,11H,9-10H2;1H/q+1;/p-1
InChIKeyJOMOSCJXHCULFX-UHFFFAOYSA-M
XLogP1.19
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.09
LogP ≤ 51.19
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-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide?
The IUPAC name of 1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide (CID 10523289) is 1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide.
What is the SMILES notation for 1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide?
The canonical SMILES for 1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide is Clc1ccc(N2C=[N+](c3ccc(Cl)cc3)CC2)cc1.[Br-].
What is the InChIKey of 1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide?
The InChIKey is JOMOSCJXHCULFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13Cl2N2.BrH/c16-12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(17)4-8-15;/h1-8,11H,9-10H2;1H/q+1;/p-1.
What are the key properties of 1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide?
1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide has a molecular weight of 372.09 g/mol, XLogP of 1.19, 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-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide is sourced from PubChem (CID 10523289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).