2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole

C18H16N2O — CID 3847246

IUPAC2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole
SMILESCOc1ccc(-c2nc3n(c2C)Cc2ccccc2-3)cc1
InChIInChI=1S/C18H16N2O/c1-12-17(13-7-9-15(21-2)10-8-13)19-18-16-6-4-3-5-14(16)11-20(12)18/h3-10H,11H2,1-2H3
InChIKeyZYCASFPOFAJMAJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.90
Rot. Bonds2

About 2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole

2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole (PubChem CID 3847246) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole
PubChem CID3847246
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole
SMILESCOc1ccc(-c2nc3n(c2C)Cc2ccccc2-3)cc1
InChIInChI=1S/C18H16N2O/c1-12-17(13-7-9-15(21-2)10-8-13)19-18-16-6-4-3-5-14(16)11-20(12)18/h3-10H,11H2,1-2H3
InChIKeyZYCASFPOFAJMAJ-UHFFFAOYSA-N
XLogP3.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole (CID 3847246) is 2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole is COc1ccc(-c2nc3n(c2C)Cc2ccccc2-3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole?
The InChIKey is ZYCASFPOFAJMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-17(13-7-9-15(21-2)10-8-13)19-18-16-6-4-3-5-14(16)11-20(12)18/h3-10H,11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole?
2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole has a molecular weight of 276.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole is sourced from PubChem (CID 3847246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).