2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C19H19FN2O2 — CID 3244969

IUPAC2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccccc1C1N(c2ccc(F)cc2)C(=O)C2CCCN21
InChIInChI=1S/C19H19FN2O2/c1-24-17-7-3-2-5-15(17)18-21-12-4-6-16(21)19(23)22(18)14-10-8-13(20)9-11-14/h2-3,5,7-11,16,18H,4,6,12H2,1H3
InChIKeyFGJUMAOGUOYAGL-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.34
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3244969) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3244969
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccccc1C1N(c2ccc(F)cc2)C(=O)C2CCCN21
InChIInChI=1S/C19H19FN2O2/c1-24-17-7-3-2-5-15(17)18-21-12-4-6-16(21)19(23)22(18)14-10-8-13(20)9-11-14/h2-3,5,7-11,16,18H,4,6,12H2,1H3
InChIKeyFGJUMAOGUOYAGL-UHFFFAOYSA-N
XLogP3.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3244969) is 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is COc1ccccc1C1N(c2ccc(F)cc2)C(=O)C2CCCN21.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is FGJUMAOGUOYAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-24-17-7-3-2-5-15(17)18-21-12-4-6-16(21)19(23)22(18)14-10-8-13(20)9-11-14/h2-3,5,7-11,16,18H,4,6,12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 326.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 3244969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).