1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C24H21FN2O — CID 59025933

IUPAC1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCc1ccc(C23c4ccccc4C(=O)N2CCN3Cc2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O/c1-17-6-10-19(11-7-17)24-22-5-3-2-4-21(22)23(28)27(24)15-14-26(24)16-18-8-12-20(25)13-9-18/h2-13H,14-16H2,1H3
InChIKeyRIGGVMVSPPFAOQ-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.31
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025933) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025933
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCc1ccc(C23c4ccccc4C(=O)N2CCN3Cc2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O/c1-17-6-10-19(11-7-17)24-22-5-3-2-4-21(22)23(28)27(24)15-14-26(24)16-18-8-12-20(25)13-9-18/h2-13H,14-16H2,1H3
InChIKeyRIGGVMVSPPFAOQ-UHFFFAOYSA-N
XLogP4.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9b-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;1-[(4-chlorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;1-[(4-chlorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one;1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 158995367
1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025703
9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025936
1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
CID 59025836
2-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
CID 59025986
1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
CID 59025765
9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 3724239
9b-[4-(3-chloropropoxy)phenyl]-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025777
11b-(4-chlorophenyl)-1-(4-fluorobenzoyl)-2,3,4,5-tetrahydro-[1,3]diazepino[2,1-a]isoindol-7-one
CID 59026057
9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 14592315
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
3-(4-chlorophenyl)-3-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one
CID 134463019

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025933) is 1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is Cc1ccc(C23c4ccccc4C(=O)N2CCN3Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is RIGGVMVSPPFAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c1-17-6-10-19(11-7-17)24-22-5-3-2-4-21(22)23(28)27(24)15-14-26(24)16-18-8-12-20(25)13-9-18/h2-13H,14-16H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 372.44 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).