2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline

C22H21BrN2 — CID 71180004

IUPAC2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline
SMILESCc1cc(C)c(-c2c(Br)nc3c4ccccc4c(C)c(C)n23)c(C)c1
InChIInChI=1S/C22H21BrN2/c1-12-10-13(2)19(14(3)11-12)20-21(23)24-22-18-9-7-6-8-17(18)15(4)16(5)25(20)22/h6-11H,1-5H3
InChIKeyUVBAZYANSVECDZ-UHFFFAOYSA-N
MW393.33 g/mol
LogP6.46
Rot. Bonds1

About 2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline

2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline (PubChem CID 71180004) has the molecular formula C22H21BrN2 and a molecular weight of 393.33 g/mol. Its IUPAC name is 2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline
PubChem CID71180004
Molecular FormulaC22H21BrN2
Molecular Weight393.33 g/mol
Exact Mass392.09
IUPAC Name2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline
SMILESCc1cc(C)c(-c2c(Br)nc3c4ccccc4c(C)c(C)n23)c(C)c1
InChIInChI=1S/C22H21BrN2/c1-12-10-13(2)19(14(3)11-12)20-21(23)24-22-18-9-7-6-8-17(18)15(4)16(5)25(20)22/h6-11H,1-5H3
InChIKeyUVBAZYANSVECDZ-UHFFFAOYSA-N
XLogP6.46
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.33
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline (CID 71180004) is 2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline is Cc1cc(C)c(-c2c(Br)nc3c4ccccc4c(C)c(C)n23)c(C)c1.
What is the InChIKey of 2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline?
The InChIKey is UVBAZYANSVECDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2/c1-12-10-13(2)19(14(3)11-12)20-21(23)24-22-18-9-7-6-8-17(18)15(4)16(5)25(20)22/h6-11H,1-5H3.
What are the key properties of 2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline?
2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline has a molecular weight of 393.33 g/mol, XLogP of 6.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 71180004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).