2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline

C23H18N2O — CID 51359027

IUPAC2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCc1ccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)cc1
InChIInChI=1S/C23H18N2O/c1-16-8-10-17(11-9-16)15-20-22(21-7-4-14-26-21)24-23-19-6-3-2-5-18(19)12-13-25(20)23/h2-14H,15H2,1H3
InChIKeySFUVXMKSGPRWDY-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.65
Rot. Bonds3

About 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline

2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline (PubChem CID 51359027) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
PubChem CID51359027
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCc1ccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)cc1
InChIInChI=1S/C23H18N2O/c1-16-8-10-17(11-9-16)15-20-22(21-7-4-14-26-21)24-23-19-6-3-2-5-18(19)12-13-25(20)23/h2-14H,15H2,1H3
InChIKeySFUVXMKSGPRWDY-UHFFFAOYSA-N
XLogP5.65
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline (CID 51359027) is 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline is Cc1ccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)cc1.
What is the InChIKey of 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The InChIKey is SFUVXMKSGPRWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-16-8-10-17(11-9-16)15-20-22(21-7-4-14-26-21)24-23-19-6-3-2-5-18(19)12-13-25(20)23/h2-14H,15H2,1H3.
What are the key properties of 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline has a molecular weight of 338.41 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).