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

C24H21ClN2O — CID 59025765

IUPAC1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
SMILESO=C1c2ccccc2C2(c3ccc(Cl)cc3)N(Cc3ccccc3)CCCN12
InChIInChI=1S/C24H21ClN2O/c25-20-13-11-19(12-14-20)24-22-10-5-4-9-21(22)23(28)27(24)16-6-15-26(24)17-18-7-2-1-3-8-18/h1-5,7-14H,6,15-17H2
InChIKeyGXCPATXTCCGSBG-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.90
Rot. Bonds3

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

1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one (PubChem CID 59025765) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one.

Molecular Properties

Compound Name1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
PubChem CID59025765
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC Name1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
SMILESO=C1c2ccccc2C2(c3ccc(Cl)cc3)N(Cc3ccccc3)CCCN12
InChIInChI=1S/C24H21ClN2O/c25-20-13-11-19(12-14-20)24-22-10-5-4-9-21(22)23(28)27(24)16-6-15-26(24)17-18-7-2-1-3-8-18/h1-5,7-14H,6,15-17H2
InChIKeyGXCPATXTCCGSBG-UHFFFAOYSA-N
XLogP4.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.90
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-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one?
The IUPAC name of 1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one (CID 59025765) is 1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one.
What is the SMILES notation for 1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one?
The canonical SMILES for 1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one is O=C1c2ccccc2C2(c3ccc(Cl)cc3)N(Cc3ccccc3)CCCN12.
What is the InChIKey of 1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one?
The InChIKey is GXCPATXTCCGSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O/c25-20-13-11-19(12-14-20)24-22-10-5-4-9-21(22)23(28)27(24)16-6-15-26(24)17-18-7-2-1-3-8-18/h1-5,7-14H,6,15-17H2.
What are the key properties of 1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one?
1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one has a molecular weight of 388.90 g/mol, XLogP of 4.90, 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-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one is sourced from PubChem (CID 59025765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).