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

C24H20FN3O3 — CID 143066216

IUPAC1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCONc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H20FN3O3/c1-31-26-19-6-4-5-17(15-19)24-21-8-3-2-7-20(21)23(30)28(24)14-13-27(24)22(29)16-9-11-18(25)12-10-16/h2-12,15,26H,13-14H2,1H3
InChIKeyLWEIAPYECQXMRY-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.61
Rot. Bonds4

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

1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 143066216) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID143066216
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCONc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H20FN3O3/c1-31-26-19-6-4-5-17(15-19)24-21-8-3-2-7-20(21)23(30)28(24)14-13-27(24)22(29)16-9-11-18(25)12-10-16/h2-12,15,26H,13-14H2,1H3
InChIKeyLWEIAPYECQXMRY-UHFFFAOYSA-N
XLogP3.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025809
9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59026031
9b-[4-(3-chloropropoxy)phenyl]-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025777
1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 71737782
1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 71607099
11b-(4-chlorophenyl)-1-(4-fluorobenzoyl)-2,3,4,5-tetrahydro-[1,3]diazepino[2,1-a]isoindol-7-one
CID 59026057
1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59026023
9b-(4-chloro-3-methoxyphenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 118719482
3-(4-fluorobenzoyl)-2-phenyl-3,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
CID 71607054
9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 3724239
9b-(4-chlorophenyl)-1-(2-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 118724894
ethyl 4-[(5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carbothioyl)amino]benzoate
CID 2807282

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 143066216) is 1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one is CONc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is LWEIAPYECQXMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-31-26-19-6-4-5-17(15-19)24-21-8-3-2-7-20(21)23(30)28(24)14-13-27(24)22(29)16-9-11-18(25)12-10-16/h2-12,15,26H,13-14H2,1H3.
What are the key properties of 1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 417.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 143066216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).