2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline

C23H18N2O2 — CID 53299389

IUPAC2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCOc1ccccc1Cc1c(-c2ccco2)nc2c3ccccc3ccn12
InChIInChI=1S/C23H18N2O2/c1-26-20-10-5-3-8-17(20)15-19-22(21-11-6-14-27-21)24-23-18-9-4-2-7-16(18)12-13-25(19)23/h2-14H,15H2,1H3
InChIKeyMUFFVQAPIUXWLE-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.35
Rot. Bonds4

About 2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline

2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline (PubChem CID 53299389) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline
PubChem CID53299389
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCOc1ccccc1Cc1c(-c2ccco2)nc2c3ccccc3ccn12
InChIInChI=1S/C23H18N2O2/c1-26-20-10-5-3-8-17(20)15-19-22(21-11-6-14-27-21)24-23-18-9-4-2-7-16(18)12-13-25(19)23/h2-14H,15H2,1H3
InChIKeyMUFFVQAPIUXWLE-UHFFFAOYSA-N
XLogP5.35
TPSA39.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline (CID 53299389) is 2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline is COc1ccccc1Cc1c(-c2ccco2)nc2c3ccccc3ccn12.
What is the InChIKey of 2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline?
The InChIKey is MUFFVQAPIUXWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-26-20-10-5-3-8-17(20)15-19-22(21-11-6-14-27-21)24-23-18-9-4-2-7-16(18)12-13-25(19)23/h2-14H,15H2,1H3.
What are the key properties of 2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline?
2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline has a molecular weight of 354.41 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 53299389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).