3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline

C22H22N2 — CID 51359025

IUPAC3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline
SMILESCCCc1nc2c3ccccc3ccn2c1Cc1ccc(C)cc1
InChIInChI=1S/C22H22N2/c1-3-6-20-21(15-17-11-9-16(2)10-12-17)24-14-13-18-7-4-5-8-19(18)22(24)23-20/h4-5,7-14H,3,6,15H2,1-2H3
InChIKeyLHFBQABSUSLVLP-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.34
Rot. Bonds4

About 3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline

3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline (PubChem CID 51359025) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline
PubChem CID51359025
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline
SMILESCCCc1nc2c3ccccc3ccn2c1Cc1ccc(C)cc1
InChIInChI=1S/C22H22N2/c1-3-6-20-21(15-17-11-9-16(2)10-12-17)24-14-13-18-7-4-5-8-19(18)22(24)23-20/h4-5,7-14H,3,6,15H2,1-2H3
InChIKeyLHFBQABSUSLVLP-UHFFFAOYSA-N
XLogP5.34
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline?
The IUPAC name of 3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline (CID 51359025) is 3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline is CCCc1nc2c3ccccc3ccn2c1Cc1ccc(C)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline?
The InChIKey is LHFBQABSUSLVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2/c1-3-6-20-21(15-17-11-9-16(2)10-12-17)24-14-13-18-7-4-5-8-19(18)22(24)23-20/h4-5,7-14H,3,6,15H2,1-2H3.
What are the key properties of 3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline?
3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline has a molecular weight of 314.43 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).