5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol

C18H18N2O2 — CID 3044193

IUPAC5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
SMILESCOc1ccc(C2(O)Cc3ccccc3C3=NCCN32)cc1
InChIInChI=1S/C18H18N2O2/c1-22-15-8-6-14(7-9-15)18(21)12-13-4-2-3-5-16(13)17-19-10-11-20(17)18/h2-9,21H,10-12H2,1H3
InChIKeyJAHZSXVGNHTXMR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.16
Rot. Bonds2

About 5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol

5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol (PubChem CID 3044193) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
PubChem CID3044193
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
SMILESCOc1ccc(C2(O)Cc3ccccc3C3=NCCN32)cc1
InChIInChI=1S/C18H18N2O2/c1-22-15-8-6-14(7-9-15)18(21)12-13-4-2-3-5-16(13)17-19-10-11-20(17)18/h2-9,21H,10-12H2,1H3
InChIKeyJAHZSXVGNHTXMR-UHFFFAOYSA-N
XLogP2.16
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The IUPAC name of 5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol (CID 3044193) is 5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol.
What is the SMILES notation for 5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The canonical SMILES for 5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol is COc1ccc(C2(O)Cc3ccccc3C3=NCCN32)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The InChIKey is JAHZSXVGNHTXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-15-8-6-14(7-9-15)18(21)12-13-4-2-3-5-16(13)17-19-10-11-20(17)18/h2-9,21H,10-12H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol has a molecular weight of 294.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol is sourced from PubChem (CID 3044193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).