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

C18H16N2 — CID 10015480

IUPAC5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESCc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1
InChIInChI=1S/C18H16N2/c1-13-6-8-14(9-7-13)17-12-15-4-2-3-5-16(15)18-19-10-11-20(17)18/h2-9,12H,10-11H2,1H3
InChIKeyCMJCEGZQDMAHMN-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.57
Rot. Bonds1

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

5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline (PubChem CID 10015480) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
PubChem CID10015480
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESCc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1
InChIInChI=1S/C18H16N2/c1-13-6-8-14(9-7-13)17-12-15-4-2-3-5-16(15)18-19-10-11-20(17)18/h2-9,12H,10-11H2,1H3
InChIKeyCMJCEGZQDMAHMN-UHFFFAOYSA-N
XLogP3.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.57
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

Perlapine
CID 16106
5-(2-Fluoro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10015659
SDZ-62-434 free
CID 9801987
1-Benzyl-2-(4-tert-butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazole
CID 9949568
5-(4-tert-Butyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10065779
7-butyl-6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10070778
6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10567444
7-benzyl-6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10695037
[4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane
CID 10735359
6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 11793166
7-butyl-6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 11793675
5-(4-(Piperidin-1-ylmethyl)phenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline hydrochloride
CID 45488194

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline (CID 10015480) is 5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline is Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The InChIKey is CMJCEGZQDMAHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-13-6-8-14(9-7-13)17-12-15-4-2-3-5-16(15)18-19-10-11-20(17)18/h2-9,12H,10-11H2,1H3.
What are the key properties of 5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline has a molecular weight of 260.34 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 10015480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).