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

C20H16FN3 — CID 157347016

IUPAC6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESFc1ccc(-c2nc3n(c2-c2ccc4c(c2)CN=C4)CCC3)cc1
InChIInChI=1S/C20H16FN3/c21-17-7-5-13(6-8-17)19-20(24-9-1-2-18(24)23-19)14-3-4-15-11-22-12-16(15)10-14/h3-8,10-11H,1-2,9,12H2
InChIKeyBHBYQPOCIZQMNL-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.23
Rot. Bonds2

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

6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (PubChem CID 157347016) has the molecular formula C20H16FN3 and a molecular weight of 317.37 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
PubChem CID157347016
Molecular FormulaC20H16FN3
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESFc1ccc(-c2nc3n(c2-c2ccc4c(c2)CN=C4)CCC3)cc1
InChIInChI=1S/C20H16FN3/c21-17-7-5-13(6-8-17)19-20(24-9-1-2-18(24)23-19)14-3-4-15-11-22-12-16(15)10-14/h3-8,10-11H,1-2,9,12H2
InChIKeyBHBYQPOCIZQMNL-UHFFFAOYSA-N
XLogP4.23
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The IUPAC name of 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (CID 157347016) is 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The canonical SMILES for 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is Fc1ccc(-c2nc3n(c2-c2ccc4c(c2)CN=C4)CCC3)cc1.
What is the InChIKey of 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The InChIKey is BHBYQPOCIZQMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3/c21-17-7-5-13(6-8-17)19-20(24-9-1-2-18(24)23-19)14-3-4-15-11-22-12-16(15)10-14/h3-8,10-11H,1-2,9,12H2.
What are the key properties of 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole has a molecular weight of 317.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is sourced from PubChem (CID 157347016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).