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

C17H13ClN2 — CID 10378954

IUPAC5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESClc1ccccc1C1=Cc2ccccc2C2=NCCN12
InChIInChI=1S/C17H13ClN2/c18-15-8-4-3-7-14(15)16-11-12-5-1-2-6-13(12)17-19-9-10-20(16)17/h1-8,11H,9-10H2
InChIKeyZMIKNFPFDYACPD-UHFFFAOYSA-N
MW280.76 g/mol
LogP3.91
Rot. Bonds1

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

5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline (PubChem CID 10378954) has the molecular formula C17H13ClN2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
PubChem CID10378954
Molecular FormulaC17H13ClN2
Molecular Weight280.76 g/mol
Exact Mass280.08
IUPAC Name5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESClc1ccccc1C1=Cc2ccccc2C2=NCCN12
InChIInChI=1S/C17H13ClN2/c18-15-8-4-3-7-14(15)16-11-12-5-1-2-6-13(12)17-19-9-10-20(16)17/h1-8,11H,9-10H2
InChIKeyZMIKNFPFDYACPD-UHFFFAOYSA-N
XLogP3.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Fluoro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10015659
SDZ-62-434 free
CID 9801987
5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindole
CID 10090352
3-[1-(2-Chloro-phenyl)-meth-(E)-ylidene]-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazoline
CID 44391171
5-(4-(Piperidin-1-ylmethyl)phenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline hydrochloride
CID 45488194
5-p-Tolyl-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10015480
Diallyl-[4-(2,3-dihydro-imidazo[2,1-a]isoquinolin-5-yl)-benzyl]-amine
CID 10021121
5-(3-Chloro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10378955
5-(4-Ethyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10423490
5-(4-tert-Butyl-phenyl)-8-chloro-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 11724601
6-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10685259
5-(2,4-Dichloro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 9995815

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline (CID 10378954) is 5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline is Clc1ccccc1C1=Cc2ccccc2C2=NCCN12.
What is the InChIKey of 5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The InChIKey is ZMIKNFPFDYACPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2/c18-15-8-4-3-7-14(15)16-11-12-5-1-2-6-13(12)17-19-9-10-20(16)17/h1-8,11H,9-10H2.
What are the key properties of 5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline has a molecular weight of 280.76 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 10378954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).