5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole

C22H20FN3 — CID 148622588

IUPAC5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESCc1cc(-c2nc3n(c2-c2ccc4c(c2)C=NC4)CCC3)cc(C)c1F
InChIInChI=1S/C22H20FN3/c1-13-8-17(9-14(2)20(13)23)21-22(26-7-3-4-19(26)25-21)15-5-6-16-11-24-12-18(16)10-15/h5-6,8-10,12H,3-4,7,11H2,1-2H3
InChIKeyNGOIGZQJYQFYBJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.85
Rot. Bonds2

About 5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole

5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (PubChem CID 148622588) has the molecular formula C22H20FN3 and a molecular weight of 345.42 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.

Molecular Properties

Compound Name5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
PubChem CID148622588
Molecular FormulaC22H20FN3
Molecular Weight345.42 g/mol
Exact Mass345.16
IUPAC Name5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESCc1cc(-c2nc3n(c2-c2ccc4c(c2)C=NC4)CCC3)cc(C)c1F
InChIInChI=1S/C22H20FN3/c1-13-8-17(9-14(2)20(13)23)21-22(26-7-3-4-19(26)25-21)15-5-6-16-11-24-12-18(16)10-15/h5-6,8-10,12H,3-4,7,11H2,1-2H3
InChIKeyNGOIGZQJYQFYBJ-UHFFFAOYSA-N
XLogP4.85
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The IUPAC name of 5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (CID 148622588) is 5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.
What is the SMILES notation for 5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The canonical SMILES for 5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is Cc1cc(-c2nc3n(c2-c2ccc4c(c2)C=NC4)CCC3)cc(C)c1F.
What is the InChIKey of 5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The InChIKey is NGOIGZQJYQFYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3/c1-13-8-17(9-14(2)20(13)23)21-22(26-7-3-4-19(26)25-21)15-5-6-16-11-24-12-18(16)10-15/h5-6,8-10,12H,3-4,7,11H2,1-2H3.
What are the key properties of 5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole has a molecular weight of 345.42 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is sourced from PubChem (CID 148622588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).