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

C21H18FN3 — CID 158318451

IUPAC5-[2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESCc1ccc(F)cc1-c1nc2n(c1-c1ccc3c(c1)C=NC3)CCC2
InChIInChI=1S/C21H18FN3/c1-13-4-7-17(22)10-18(13)20-21(25-8-2-3-19(25)24-20)14-5-6-15-11-23-12-16(15)9-14/h4-7,9-10,12H,2-3,8,11H2,1H3
InChIKeyGONYXUXTDGXKRG-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.54
Rot. Bonds2

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

5-[2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (PubChem CID 158318451) has the molecular formula C21H18FN3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.

Molecular Properties

Compound Name5-[2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
PubChem CID158318451
Molecular FormulaC21H18FN3
Molecular Weight331.39 g/mol
Exact Mass331.15
IUPAC Name5-[2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESCc1ccc(F)cc1-c1nc2n(c1-c1ccc3c(c1)C=NC3)CCC2
InChIInChI=1S/C21H18FN3/c1-13-4-7-17(22)10-18(13)20-21(25-8-2-3-19(25)24-20)14-5-6-15-11-23-12-16(15)9-14/h4-7,9-10,12H,2-3,8,11H2,1H3
InChIKeyGONYXUXTDGXKRG-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 5-[2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The IUPAC name of 5-[2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (CID 158318451) is 5-[2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.
What is the SMILES notation for 5-[2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The canonical SMILES for 5-[2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is Cc1ccc(F)cc1-c1nc2n(c1-c1ccc3c(c1)C=NC3)CCC2.
What is the InChIKey of 5-[2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The InChIKey is GONYXUXTDGXKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3/c1-13-4-7-17(22)10-18(13)20-21(25-8-2-3-19(25)24-20)14-5-6-15-11-23-12-16(15)9-14/h4-7,9-10,12H,2-3,8,11H2,1H3.
What are the key properties of 5-[2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
5-[2-(5-fluoro-2-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 5-[2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is sourced from PubChem (CID 158318451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).