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

C21H18FN3 — CID 153224703

IUPAC6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESCc1cc(-c2nc3n(c2-c2ccc4c(c2)CN=C4)CCC3)ccc1F
InChIInChI=1S/C21H18FN3/c1-13-9-14(6-7-18(13)22)20-21(25-8-2-3-19(25)24-20)15-4-5-16-11-23-12-17(16)10-15/h4-7,9-11H,2-3,8,12H2,1H3
InChIKeyWOIZSJJHEIPSCJ-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.54
Rot. Bonds2

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

6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (PubChem CID 153224703) has the molecular formula C21H18FN3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
PubChem CID153224703
Molecular FormulaC21H18FN3
Molecular Weight331.39 g/mol
Exact Mass331.15
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESCc1cc(-c2nc3n(c2-c2ccc4c(c2)CN=C4)CCC3)ccc1F
InChIInChI=1S/C21H18FN3/c1-13-9-14(6-7-18(13)22)20-21(25-8-2-3-19(25)24-20)15-4-5-16-11-23-12-17(16)10-15/h4-7,9-11H,2-3,8,12H2,1H3
InChIKeyWOIZSJJHEIPSCJ-UHFFFAOYSA-N
XLogP4.54
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (CID 153224703) is 6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is Cc1cc(-c2nc3n(c2-c2ccc4c(c2)CN=C4)CCC3)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The InChIKey is WOIZSJJHEIPSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3/c1-13-9-14(6-7-18(13)22)20-21(25-8-2-3-19(25)24-20)15-4-5-16-11-23-12-17(16)10-15/h4-7,9-11H,2-3,8,12H2,1H3.
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole has a molecular weight of 331.39 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is sourced from PubChem (CID 153224703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).