6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium

C32H32N3+ — CID 170458236

IUPAC6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium
SMILESCCc1cccc(CC)c1N1C[N+]2=C(NC(c3ccccc3)C2c2ccccc2)c2ccccc21
InChIInChI=1S/C32H31N3/c1-3-23-18-13-19-24(4-2)30(23)34-22-35-31(26-16-9-6-10-17-26)29(25-14-7-5-8-15-25)33-32(35)27-20-11-12-21-28(27)34/h5-21,29,31H,3-4,22H2,1-2H3/p+1
InChIKeyFTDRDEOPERDZFK-UHFFFAOYSA-O
MW458.63 g/mol
LogP6.77
Rot. Bonds5

About 6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium

6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium (PubChem CID 170458236) has the molecular formula C32H32N3+ and a molecular weight of 458.63 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium
PubChem CID170458236
Molecular FormulaC32H32N3+
Molecular Weight458.63 g/mol
Exact Mass458.26
IUPAC Name6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium
SMILESCCc1cccc(CC)c1N1C[N+]2=C(NC(c3ccccc3)C2c2ccccc2)c2ccccc21
InChIInChI=1S/C32H31N3/c1-3-23-18-13-19-24(4-2)30(23)34-22-35-31(26-16-9-6-10-17-26)29(25-14-7-5-8-15-25)33-32(35)27-20-11-12-21-28(27)34/h5-21,29,31H,3-4,22H2,1-2H3/p+1
InChIKeyFTDRDEOPERDZFK-UHFFFAOYSA-O
XLogP6.77
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.63
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium?
The IUPAC name of 6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium (CID 170458236) is 6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium.
What is the SMILES notation for 6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium?
The canonical SMILES for 6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium is CCc1cccc(CC)c1N1C[N+]2=C(NC(c3ccccc3)C2c2ccccc2)c2ccccc21.
What is the InChIKey of 6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium?
The InChIKey is FTDRDEOPERDZFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H31N3/c1-3-23-18-13-19-24(4-2)30(23)34-22-35-31(26-16-9-6-10-17-26)29(25-14-7-5-8-15-25)33-32(35)27-20-11-12-21-28(27)34/h5-21,29,31H,3-4,22H2,1-2H3/p+1.
What are the key properties of 6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium?
6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium has a molecular weight of 458.63 g/mol, XLogP of 6.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-2,3-diphenyl-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium is sourced from PubChem (CID 170458236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).