1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one

C24H25FN2O — CID 143994698

IUPAC1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one
SMILESCC(C)(C)CC(=O)CCC1(c2ccc(F)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C24H25FN2O/c1-23(2,3)16-19(28)12-13-24(17-8-10-18(25)11-9-17)21-7-5-4-6-20(21)22-26-14-15-27(22)24/h4-11,14-15H,12-13,16H2,1-3H3
InChIKeyDOCLCFDNLNLCPO-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.58
Rot. Bonds5

About 1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one

1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one (PubChem CID 143994698) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one
PubChem CID143994698
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one
SMILESCC(C)(C)CC(=O)CCC1(c2ccc(F)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C24H25FN2O/c1-23(2,3)16-19(28)12-13-24(17-8-10-18(25)11-9-17)21-7-5-4-6-20(21)22-26-14-15-27(22)24/h4-11,14-15H,12-13,16H2,1-3H3
InChIKeyDOCLCFDNLNLCPO-UHFFFAOYSA-N
XLogP5.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one?
The IUPAC name of 1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one (CID 143994698) is 1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one is CC(C)(C)CC(=O)CCC1(c2ccc(F)cc2)c2ccccc2-c2nccn21.
What is the InChIKey of 1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one?
The InChIKey is DOCLCFDNLNLCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-23(2,3)16-19(28)12-13-24(17-8-10-18(25)11-9-17)21-7-5-4-6-20(21)22-26-14-15-27(22)24/h4-11,14-15H,12-13,16H2,1-3H3.
What are the key properties of 1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one?
1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one has a molecular weight of 376.48 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one is sourced from PubChem (CID 143994698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).