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

C18H16ClFN2O — CID 5307424

IUPAC2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccc(F)cc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN2O/c19-13-5-9-15(10-6-13)22-17(12-3-7-14(20)8-4-12)21-11-1-2-16(21)18(22)23/h3-10,16-17H,1-2,11H2
InChIKeyCYSJUEJYTFLDSD-UHFFFAOYSA-N
MW330.79 g/mol
LogP3.99
Rot. Bonds2

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

2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 5307424) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID5307424
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccc(F)cc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN2O/c19-13-5-9-15(10-6-13)22-17(12-3-7-14(20)8-4-12)21-11-1-2-16(21)18(22)23/h3-10,16-17H,1-2,11H2
InChIKeyCYSJUEJYTFLDSD-UHFFFAOYSA-N
XLogP3.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-3-(4-fluorophenyl)-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

Related Compounds

2-(4-chlorophenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 4842743
1,2-Pyrrolidinedicarboxamide,N2-[(4-chlorophenyl)methyl]-N2-methyl-N1-[4-(trifluoromethyl)phenyl]-,(2R)-
CID 24782826
(5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 155549835
1-Benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 73012381
Pyrrolidine-1,2-dicarboxylic acid 1-[(4-chloro-phenyl)-amide] 2-(phenethyl-amide)
CID 3219673
2-(4-chlorophenyl)-3-phenylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3239489
2-(4-Chloro-phenyl)-3-phenyl-tetrahydro-pyrazolo[1,2-a][1,2,4]triazol-1-one
CID 3820842
2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5307876
2-(3-chlorophenyl)-3-(2-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5308424
3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5309937
CID 11531370
CID 11531370
(R)-N2-(4-Chlorobenzyl)-N1-(4-chlorophenyl)-N2-ethylpyrrolidine-1,2-dicarboxamide
CID 25231300

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 5307424) is 2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1C2CCCN2C(c2ccc(F)cc2)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is CYSJUEJYTFLDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c19-13-5-9-15(10-6-13)22-17(12-3-7-14(20)8-4-12)21-11-1-2-16(21)18(22)23/h3-10,16-17H,1-2,11H2.
What are the key properties of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 330.79 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 5307424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).