3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium

C25H23N2+ — CID 4287464

IUPAC3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
SMILESCc1ccc(-n2c(-c3ccccc3)c[n+]3c2CCc2ccccc2-3)c(C)c1
InChIInChI=1S/C25H23N2/c1-18-12-14-22(19(2)16-18)27-24(20-8-4-3-5-9-20)17-26-23-11-7-6-10-21(23)13-15-25(26)27/h3-12,14,16-17H,13,15H2,1-2H3/q+1
InChIKeyFMGRGIOUUGFHJP-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.14
Rot. Bonds2

About 3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium

3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium (PubChem CID 4287464) has the molecular formula C25H23N2+ and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
PubChem CID4287464
Molecular FormulaC25H23N2+
Molecular Weight351.47 g/mol
Exact Mass351.19
IUPAC Name3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
SMILESCc1ccc(-n2c(-c3ccccc3)c[n+]3c2CCc2ccccc2-3)c(C)c1
InChIInChI=1S/C25H23N2/c1-18-12-14-22(19(2)16-18)27-24(20-8-4-3-5-9-20)17-26-23-11-7-6-10-21(23)13-15-25(26)27/h3-12,14,16-17H,13,15H2,1-2H3/q+1
InChIKeyFMGRGIOUUGFHJP-UHFFFAOYSA-N
XLogP5.14
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.14
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 3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
The IUPAC name of 3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium (CID 4287464) is 3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
The canonical SMILES for 3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium is Cc1ccc(-n2c(-c3ccccc3)c[n+]3c2CCc2ccccc2-3)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
The InChIKey is FMGRGIOUUGFHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2/c1-18-12-14-22(19(2)16-18)27-24(20-8-4-3-5-9-20)17-26-23-11-7-6-10-21(23)13-15-25(26)27/h3-12,14,16-17H,13,15H2,1-2H3/q+1.
What are the key properties of 3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium has a molecular weight of 351.47 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium is sourced from PubChem (CID 4287464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).