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

C23H16BrFN2O2 — CID 59026031

IUPAC9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1cccc(Br)c1
InChIInChI=1S/C23H16BrFN2O2/c24-17-5-3-4-16(14-17)23-20-7-2-1-6-19(20)22(29)27(23)13-12-26(23)21(28)15-8-10-18(25)11-9-15/h1-11,14H,12-13H2
InChIKeyZDTYNVXRKRCWJR-UHFFFAOYSA-N
MW451.30 g/mol
LogP4.40
Rot. Bonds2

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

9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59026031) has the molecular formula C23H16BrFN2O2 and a molecular weight of 451.30 g/mol. Its IUPAC name is 9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59026031
Molecular FormulaC23H16BrFN2O2
Molecular Weight451.30 g/mol
Exact Mass450.04
IUPAC Name9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1cccc(Br)c1
InChIInChI=1S/C23H16BrFN2O2/c24-17-5-3-4-16(14-17)23-20-7-2-1-6-19(20)22(29)27(23)13-12-26(23)21(28)15-8-10-18(25)11-9-15/h1-11,14H,12-13H2
InChIKeyZDTYNVXRKRCWJR-UHFFFAOYSA-N
XLogP4.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.30
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorobenzoyl)-9b-[3-(methoxyamino)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 143066216
1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025809
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-(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
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-chloro-3-methoxyphenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 118719482
1-(3,5-dichlorobenzoyl)-10b-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
CID 71607108
1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025863
1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025703

Frequently Asked Questions

What is the IUPAC name of 9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59026031) is 9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1cccc(Br)c1.
What is the InChIKey of 9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is ZDTYNVXRKRCWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrFN2O2/c24-17-5-3-4-16(14-17)23-20-7-2-1-6-19(20)22(29)27(23)13-12-26(23)21(28)15-8-10-18(25)11-9-15/h1-11,14H,12-13H2.
What are the key properties of 9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 451.30 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(3-bromophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59026031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).