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

C26H25N2+ — CID 2315220

IUPAC2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
SMILESCC(C)c1ccc(-n2c(-c3ccccc3)c[n+]3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C26H25N2/c1-19(2)20-12-15-23(16-13-20)28-25(21-8-4-3-5-9-21)18-27-24-11-7-6-10-22(24)14-17-26(27)28/h3-13,15-16,18-19H,14,17H2,1-2H3/q+1
InChIKeyGUXRNCAQTWASOC-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.64
Rot. Bonds3

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

2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium (PubChem CID 2315220) has the molecular formula C26H25N2+ and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium.

Molecular Properties

Compound Name2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
PubChem CID2315220
Molecular FormulaC26H25N2+
Molecular Weight365.50 g/mol
Exact Mass365.20
IUPAC Name2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
SMILESCC(C)c1ccc(-n2c(-c3ccccc3)c[n+]3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C26H25N2/c1-19(2)20-12-15-23(16-13-20)28-25(21-8-4-3-5-9-21)18-27-24-11-7-6-10-22(24)14-17-26(27)28/h3-13,15-16,18-19H,14,17H2,1-2H3/q+1
InChIKeyGUXRNCAQTWASOC-UHFFFAOYSA-N
XLogP5.64
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
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 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
The IUPAC name of 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium (CID 2315220) is 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium.
What is the SMILES notation for 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
The canonical SMILES for 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium is CC(C)c1ccc(-n2c(-c3ccccc3)c[n+]3c2CCc2ccccc2-3)cc1.
What is the InChIKey of 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
The InChIKey is GUXRNCAQTWASOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N2/c1-19(2)20-12-15-23(16-13-20)28-25(21-8-4-3-5-9-21)18-27-24-11-7-6-10-22(24)14-17-26(27)28/h3-13,15-16,18-19H,14,17H2,1-2H3/q+1.
What are the key properties of 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium has a molecular weight of 365.50 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(4-propan-2-ylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium is sourced from PubChem (CID 2315220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).