1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one

C25H24N2O — CID 59025836

IUPAC1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
SMILESCc1ccc(C23c4ccccc4C(=O)N2CCCN3Cc2ccccc2)cc1
InChIInChI=1S/C25H24N2O/c1-19-12-14-21(15-13-19)25-23-11-6-5-10-22(23)24(28)27(25)17-7-16-26(25)18-20-8-3-2-4-9-20/h2-6,8-15H,7,16-18H2,1H3
InChIKeyCSOSDDCLEKYCMS-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.56
Rot. Bonds3

About 1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one

1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one (PubChem CID 59025836) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one.

Molecular Properties

Compound Name1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
PubChem CID59025836
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
SMILESCc1ccc(C23c4ccccc4C(=O)N2CCCN3Cc2ccccc2)cc1
InChIInChI=1S/C25H24N2O/c1-19-12-14-21(15-13-19)25-23-11-6-5-10-22(23)24(28)27(25)17-7-16-26(25)18-20-8-3-2-4-9-20/h2-6,8-15H,7,16-18H2,1H3
InChIKeyCSOSDDCLEKYCMS-UHFFFAOYSA-N
XLogP4.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one?
The IUPAC name of 1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one (CID 59025836) is 1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one.
What is the SMILES notation for 1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one?
The canonical SMILES for 1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one is Cc1ccc(C23c4ccccc4C(=O)N2CCCN3Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one?
The InChIKey is CSOSDDCLEKYCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-19-12-14-21(15-13-19)25-23-11-6-5-10-22(23)24(28)27(25)17-7-16-26(25)18-20-8-3-2-4-9-20/h2-6,8-15H,7,16-18H2,1H3.
What are the key properties of 1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one?
1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one has a molecular weight of 368.48 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one is sourced from PubChem (CID 59025836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).