5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline

C19H18N2O2 — CID 10063751

IUPAC5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESCOc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1OC
InChIInChI=1S/C19H18N2O2/c1-22-17-8-7-14(12-18(17)23-2)16-11-13-5-3-4-6-15(13)19-20-9-10-21(16)19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyMBOMVGGFKXGWMJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.28
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline

5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline (PubChem CID 10063751) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
PubChem CID10063751
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESCOc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1OC
InChIInChI=1S/C19H18N2O2/c1-22-17-8-7-14(12-18(17)23-2)16-11-13-5-3-4-6-15(13)19-20-9-10-21(16)19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyMBOMVGGFKXGWMJ-UHFFFAOYSA-N
XLogP3.28
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline (CID 10063751) is 5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline is COc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The InChIKey is MBOMVGGFKXGWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-22-17-8-7-14(12-18(17)23-2)16-11-13-5-3-4-6-15(13)19-20-9-10-21(16)19/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline has a molecular weight of 306.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 10063751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).