5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole

C18H16N2 — CID 91516948

IUPAC5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole
SMILESCc1ccc(C2(C)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C18H16N2/c1-13-7-9-14(10-8-13)18(2)16-6-4-3-5-15(16)17-19-11-12-20(17)18/h3-12H,1-2H3
InChIKeyVWQFWIBNLSOBJX-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.98
Rot. Bonds1

About 5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole

5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole (PubChem CID 91516948) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole.

Molecular Properties

Compound Name5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole
PubChem CID91516948
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole
SMILESCc1ccc(C2(C)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C18H16N2/c1-13-7-9-14(10-8-13)18(2)16-6-4-3-5-15(16)17-19-11-12-20(17)18/h3-12H,1-2H3
InChIKeyVWQFWIBNLSOBJX-UHFFFAOYSA-N
XLogP3.98
TPSA17.82 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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-ol
CID 71737853
1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 70885230
5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole
CID 91476831
3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid
CID 58415458
ethane;9-(4-methylphenyl)fluoren-9-ol
CID 91233628
1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one
CID 143994698
3-(4-chlorophenyl)-3-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one
CID 134463019
3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]aniline
CID 89064797
2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide
CID 58415510
N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane
CID 143994725
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 58415521

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole?
The IUPAC name of 5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole (CID 91516948) is 5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole.
What is the SMILES notation for 5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole?
The canonical SMILES for 5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole is Cc1ccc(C2(C)c3ccccc3-c3nccn32)cc1.
What is the InChIKey of 5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole?
The InChIKey is VWQFWIBNLSOBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-13-7-9-14(10-8-13)18(2)16-6-4-3-5-15(16)17-19-11-12-20(17)18/h3-12H,1-2H3.
What are the key properties of 5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole?
5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole has a molecular weight of 260.34 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole is sourced from PubChem (CID 91516948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).