2-methyl-3-phenylimidazo[2,1-a]isoquinoline

C18H14N2 — CID 58517681

IUPAC2-methyl-3-phenylimidazo[2,1-a]isoquinoline
SMILESCc1nc2c3ccccc3ccn2c1-c1ccccc1
InChIInChI=1S/C18H14N2/c1-13-17(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)18(20)19-13/h2-12H,1H3
InChIKeyTXWARHRUXUJYBW-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.46
Rot. Bonds1

About 2-methyl-3-phenylimidazo[2,1-a]isoquinoline

2-methyl-3-phenylimidazo[2,1-a]isoquinoline (PubChem CID 58517681) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-3-phenylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-methyl-3-phenylimidazo[2,1-a]isoquinoline
PubChem CID58517681
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name2-methyl-3-phenylimidazo[2,1-a]isoquinoline
SMILESCc1nc2c3ccccc3ccn2c1-c1ccccc1
InChIInChI=1S/C18H14N2/c1-13-17(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)18(20)19-13/h2-12H,1H3
InChIKeyTXWARHRUXUJYBW-UHFFFAOYSA-N
XLogP4.46
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylimidazo[2,1-a]isoquinoline?
The IUPAC name of 2-methyl-3-phenylimidazo[2,1-a]isoquinoline (CID 58517681) is 2-methyl-3-phenylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-methyl-3-phenylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-methyl-3-phenylimidazo[2,1-a]isoquinoline is Cc1nc2c3ccccc3ccn2c1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenylimidazo[2,1-a]isoquinoline?
The InChIKey is TXWARHRUXUJYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-13-17(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)18(20)19-13/h2-12H,1H3.
What are the key properties of 2-methyl-3-phenylimidazo[2,1-a]isoquinoline?
2-methyl-3-phenylimidazo[2,1-a]isoquinoline has a molecular weight of 258.32 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 58517681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).