2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide

C24H21Br2N2+ — CID 126958128

IUPAC2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide
SMILESBr.Cc1ccc(-n2c(-c3ccc(Br)cc3)c[n+]3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C24H20BrN2.BrH/c1-17-6-13-21(14-7-17)27-23(19-8-11-20(25)12-9-19)16-26-22-5-3-2-4-18(22)10-15-24(26)27;/h2-9,11-14,16H,10,15H2,1H3;1H/q+1;
InChIKeyMUPGHSOFEXMSFE-UHFFFAOYSA-N
MW497.25 g/mol
LogP6.17
Rot. Bonds2

About 2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide

2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide (PubChem CID 126958128) has the molecular formula C24H21Br2N2+ and a molecular weight of 497.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide
PubChem CID126958128
Molecular FormulaC24H21Br2N2+
Molecular Weight497.25 g/mol
Exact Mass495.01
IUPAC Name2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide
SMILESBr.Cc1ccc(-n2c(-c3ccc(Br)cc3)c[n+]3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C24H20BrN2.BrH/c1-17-6-13-21(14-7-17)27-23(19-8-11-20(25)12-9-19)16-26-22-5-3-2-4-18(22)10-15-24(26)27;/h2-9,11-14,16H,10,15H2,1H3;1H/q+1;
InChIKeyMUPGHSOFEXMSFE-UHFFFAOYSA-N
XLogP6.17
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.25
LogP ≤ 56.17
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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Related Compounds

3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
CID 4287464
2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide
CID 126956899
1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
CID 90139024
1,2-bis(4-bromophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium
CID 21178831
2-(4-bromophenyl)-1-(4-tert-butylphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium
CID 4999032
1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium
CID 3293402
1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene
CID 145072722
2-(4-bromophenyl)-1-(4-tert-butylphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium bromide
CID 45052932
3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole
CID 89492367
2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole
CID 3509542
2-(4-bromophenyl)-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium bromide
CID 21176835
1-(4-bromophenyl)-2-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
CID 3351226

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide?
The IUPAC name of 2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide (CID 126958128) is 2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide is Br.Cc1ccc(-n2c(-c3ccc(Br)cc3)c[n+]3c2CCc2ccccc2-3)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide?
The InChIKey is MUPGHSOFEXMSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN2.BrH/c1-17-6-13-21(14-7-17)27-23(19-8-11-20(25)12-9-19)16-26-22-5-3-2-4-18(22)10-15-24(26)27;/h2-9,11-14,16H,10,15H2,1H3;1H/q+1;.
What are the key properties of 2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide?
2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide has a molecular weight of 497.25 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide is sourced from PubChem (CID 126958128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).