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

C20H16FN3 — CID 149209454

IUPAC6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESFc1cccc(-c2nc3n(c2-c2ccc4c(c2)CN=C4)CCC3)c1
InChIInChI=1S/C20H16FN3/c21-17-4-1-3-13(10-17)19-20(24-8-2-5-18(24)23-19)14-6-7-15-11-22-12-16(15)9-14/h1,3-4,6-7,9-11H,2,5,8,12H2
InChIKeyXGHDFNYSJLQDOO-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.23
Rot. Bonds2

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

6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (PubChem CID 149209454) has the molecular formula C20H16FN3 and a molecular weight of 317.37 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
PubChem CID149209454
Molecular FormulaC20H16FN3
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESFc1cccc(-c2nc3n(c2-c2ccc4c(c2)CN=C4)CCC3)c1
InChIInChI=1S/C20H16FN3/c21-17-4-1-3-13(10-17)19-20(24-8-2-5-18(24)23-19)14-6-7-15-11-22-12-16(15)9-14/h1,3-4,6-7,9-11H,2,5,8,12H2
InChIKeyXGHDFNYSJLQDOO-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-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The IUPAC name of 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (CID 149209454) is 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.
What is the SMILES notation for 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The canonical SMILES for 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is Fc1cccc(-c2nc3n(c2-c2ccc4c(c2)CN=C4)CCC3)c1.
What is the InChIKey of 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The InChIKey is XGHDFNYSJLQDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3/c21-17-4-1-3-13(10-17)19-20(24-8-2-5-18(24)23-19)14-6-7-15-11-22-12-16(15)9-14/h1,3-4,6-7,9-11H,2,5,8,12H2.
What are the key properties of 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
6-[2-(3-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-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is sourced from PubChem (CID 149209454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).