2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C17H19FN2O2 — CID 119033802

IUPAC2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1C1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c18-12-8-6-11(7-9-12)13-3-1-4-14(13)20-16(21)15-5-2-10-19(15)17(20)22/h6-9,13-15H,1-5,10H2
InChIKeyKFJILAOKCZOLPO-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.89
Rot. Bonds2

About 2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 119033802) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID119033802
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1C1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c18-12-8-6-11(7-9-12)13-3-1-4-14(13)20-16(21)15-5-2-10-19(15)17(20)22/h6-9,13-15H,1-5,10H2
InChIKeyKFJILAOKCZOLPO-UHFFFAOYSA-N
XLogP2.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 119033802) is 2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C1C2CCCN2C(=O)N1C1CCCC1c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is KFJILAOKCZOLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-12-8-6-11(7-9-12)13-3-1-4-14(13)20-16(21)15-5-2-10-19(15)17(20)22/h6-9,13-15H,1-5,10H2.
What are the key properties of 2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 302.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 119033802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).