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

C17H14Cl2N2O — CID 3044197

IUPAC5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
SMILESOC1(c2ccc(Cl)cc2Cl)Cc2ccccc2C2=NCCN21
InChIInChI=1S/C17H14Cl2N2O/c18-12-5-6-14(15(19)9-12)17(22)10-11-3-1-2-4-13(11)16-20-7-8-21(16)17/h1-6,9,22H,7-8,10H2
InChIKeyMRYHNERJCXUYSM-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.46
Rot. Bonds1

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

5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol (PubChem CID 3044197) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
PubChem CID3044197
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
SMILESOC1(c2ccc(Cl)cc2Cl)Cc2ccccc2C2=NCCN21
InChIInChI=1S/C17H14Cl2N2O/c18-12-5-6-14(15(19)9-12)17(22)10-11-3-1-2-4-13(11)16-20-7-8-21(16)17/h1-6,9,22H,7-8,10H2
InChIKeyMRYHNERJCXUYSM-UHFFFAOYSA-N
XLogP3.46
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The IUPAC name of 5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol (CID 3044197) is 5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol is OC1(c2ccc(Cl)cc2Cl)Cc2ccccc2C2=NCCN21.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The InChIKey is MRYHNERJCXUYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c18-12-5-6-14(15(19)9-12)17(22)10-11-3-1-2-4-13(11)16-20-7-8-21(16)17/h1-6,9,22H,7-8,10H2.
What are the key properties of 5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol has a molecular weight of 333.22 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol is sourced from PubChem (CID 3044197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).