5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium

C22H25N2+ — CID 146740117

IUPAC5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium
SMILESCc1cc(C)c(-n2cc[n+]3c2-c2ccccc2C(C)C3C)c(C)c1
InChIInChI=1S/C22H25N2/c1-14-12-15(2)21(16(3)13-14)24-11-10-23-18(5)17(4)19-8-6-7-9-20(19)22(23)24/h6-13,17-18H,1-5H3/q+1
InChIKeyBHCMPGHUXQHTCV-UHFFFAOYSA-N
MW317.46 g/mol
LogP5.04
Rot. Bonds1

About 5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium

5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium (PubChem CID 146740117) has the molecular formula C22H25N2+ and a molecular weight of 317.46 g/mol. Its IUPAC name is 5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium.

Molecular Properties

Compound Name5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium
PubChem CID146740117
Molecular FormulaC22H25N2+
Molecular Weight317.46 g/mol
Exact Mass317.20
IUPAC Name5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium
SMILESCc1cc(C)c(-n2cc[n+]3c2-c2ccccc2C(C)C3C)c(C)c1
InChIInChI=1S/C22H25N2/c1-14-12-15(2)21(16(3)13-14)24-11-10-23-18(5)17(4)19-8-6-7-9-20(19)22(23)24/h6-13,17-18H,1-5H3/q+1
InChIKeyBHCMPGHUXQHTCV-UHFFFAOYSA-N
XLogP5.04
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.46
LogP ≤ 55.04
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 5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium?
The IUPAC name of 5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium (CID 146740117) is 5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium.
What is the SMILES notation for 5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium?
The canonical SMILES for 5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium is Cc1cc(C)c(-n2cc[n+]3c2-c2ccccc2C(C)C3C)c(C)c1.
What is the InChIKey of 5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium?
The InChIKey is BHCMPGHUXQHTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N2/c1-14-12-15(2)21(16(3)13-14)24-11-10-23-18(5)17(4)19-8-6-7-9-20(19)22(23)24/h6-13,17-18H,1-5H3/q+1.
What are the key properties of 5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium?
5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium has a molecular weight of 317.46 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium is sourced from PubChem (CID 146740117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).