6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline

C21H24N2O — CID 11587799

IUPAC6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline
SMILESCOCc1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)C2
InChIInChI=1S/C21H24N2O/c1-14-15(2)23-12-18(13-24-3)19-10-9-17(11-20(19)21(23)22-14)16-7-5-4-6-8-16/h4-8,12,17H,9-11,13H2,1-3H3
InChIKeyAWHPETOAZMHQDC-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.37
Rot. Bonds3

About 6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline

6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline (PubChem CID 11587799) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline
PubChem CID11587799
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline
SMILESCOCc1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)C2
InChIInChI=1S/C21H24N2O/c1-14-15(2)23-12-18(13-24-3)19-10-9-17(11-20(19)21(23)22-14)16-7-5-4-6-8-16/h4-8,12,17H,9-11,13H2,1-3H3
InChIKeyAWHPETOAZMHQDC-UHFFFAOYSA-N
XLogP4.37
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline (CID 11587799) is 6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline is COCc1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)C2.
What is the InChIKey of 6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline?
The InChIKey is AWHPETOAZMHQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-14-15(2)23-12-18(13-24-3)19-10-9-17(11-20(19)21(23)22-14)16-7-5-4-6-8-16/h4-8,12,17H,9-11,13H2,1-3H3.
What are the key properties of 6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline?
6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline has a molecular weight of 320.44 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 11587799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).