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

C17H15ClN2O — CID 3069488

IUPAC5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
SMILESOC1(c2cccc(Cl)c2)Cc2ccccc2C2=NCCN21
InChIInChI=1S/C17H15ClN2O/c18-14-6-3-5-13(10-14)17(21)11-12-4-1-2-7-15(12)16-19-8-9-20(16)17/h1-7,10,21H,8-9,11H2
InChIKeyVCXGTSVXQNAKCI-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.80
Rot. Bonds1

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

5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol (PubChem CID 3069488) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
PubChem CID3069488
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
SMILESOC1(c2cccc(Cl)c2)Cc2ccccc2C2=NCCN21
InChIInChI=1S/C17H15ClN2O/c18-14-6-3-5-13(10-14)17(21)11-12-4-1-2-7-15(12)16-19-8-9-20(16)17/h1-7,10,21H,8-9,11H2
InChIKeyVCXGTSVXQNAKCI-UHFFFAOYSA-N
XLogP2.80
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol with MolForge

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Related Compounds

Mazindol
CID 4020
6-(4-Chlorophenyl)-2,3,4,6-tetrahydropyrimido[2,1-a]isoindol-6-ol
CID 12204576
5-m-Chlorophenyl-2,3-dihydro-5H-imidazo(2,1-a)isoindol-5-ol
CID 213818
5-(3,4-Dichlorophenyl)-2,5-dihydro-3H-imidazo(2,1-a)isoindol-5-ol
CID 212099
3H-Imidazo(2,1-a)isoindol-5-ol, 2,5-dihydro-6-chloro-5-phenyl-
CID 213819
7-(4-Chloro-phenyl)-2,4,5,7-tetrahydro-3H-[1,3]diazepino[2,1-a]isoindol-7-ol
CID 12204578
Imidazo(2,1-a)isoquinolin-5-ol, 2,3,5,6-tetrahydro-5-(p-fluorophenyl)-
CID 2818477
6-(3-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,1-a]isoindol-6-ol
CID 10379967
5-(2-Chloro-phenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol
CID 10565033
7-Chloro-5-phenyl-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol
CID 12205308
7-Chloro-5-(4-fluoro-phenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol
CID 21565154
Imidazo(2,1-a)isoquinolin-5-ol, 2,3,5,6-tetrahydro-5-(p-chlorophenyl)-
CID 3044188

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The IUPAC name of 5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol (CID 3069488) is 5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol.
What is the SMILES notation for 5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The canonical SMILES for 5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol is OC1(c2cccc(Cl)c2)Cc2ccccc2C2=NCCN21.
What is the InChIKey of 5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The InChIKey is VCXGTSVXQNAKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-14-6-3-5-13(10-14)17(21)11-12-4-1-2-7-15(12)16-19-8-9-20(16)17/h1-7,10,21H,8-9,11H2.
What are the key properties of 5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol has a molecular weight of 298.77 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol is sourced from PubChem (CID 3069488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).