1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C24H19FN2O3 — CID 71737782

IUPAC1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCOc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C24H19FN2O3/c1-30-19-11-9-17(10-12-19)24-21-8-3-2-7-20(21)23(29)27(24)14-13-26(24)22(28)16-5-4-6-18(25)15-16/h2-12,15H,13-14H2,1H3
InChIKeyUNTNPNMCZOJJPW-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.65
Rot. Bonds3

About 1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 71737782) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID71737782
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCOc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C24H19FN2O3/c1-30-19-11-9-17(10-12-19)24-21-8-3-2-7-20(21)23(29)27(24)14-13-26(24)22(28)16-5-4-6-18(25)15-16/h2-12,15H,13-14H2,1H3
InChIKeyUNTNPNMCZOJJPW-UHFFFAOYSA-N
XLogP3.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 71737782) is 1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is UNTNPNMCZOJJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-30-19-11-9-17(10-12-19)24-21-8-3-2-7-20(21)23(29)27(24)14-13-26(24)22(28)16-5-4-6-18(25)15-16/h2-12,15H,13-14H2,1H3.
What are the key properties of 1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 402.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 71737782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).