5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C21H20FN3O3 — CID 67579699

IUPAC5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCCc1ccc2c(c1)CN(CC1(c3ccc(F)cc3)NC(=O)NC1=O)C2=O
InChIInChI=1S/C21H20FN3O3/c1-2-3-13-4-9-17-14(10-13)11-25(18(17)26)12-21(19(27)23-20(28)24-21)15-5-7-16(22)8-6-15/h4-10H,2-3,11-12H2,1H3,(H2,23,24,27,28)
InChIKeyJPHKCXCOPZPGSD-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.47
Rot. Bonds5

About 5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 67579699) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID67579699
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCCc1ccc2c(c1)CN(CC1(c3ccc(F)cc3)NC(=O)NC1=O)C2=O
InChIInChI=1S/C21H20FN3O3/c1-2-3-13-4-9-17-14(10-13)11-25(18(17)26)12-21(19(27)23-20(28)24-21)15-5-7-16(22)8-6-15/h4-10H,2-3,11-12H2,1H3,(H2,23,24,27,28)
InChIKeyJPHKCXCOPZPGSD-UHFFFAOYSA-N
XLogP2.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 67579699) is 5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is CCCc1ccc2c(c1)CN(CC1(c3ccc(F)cc3)NC(=O)NC1=O)C2=O.
What is the InChIKey of 5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is JPHKCXCOPZPGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-2-3-13-4-9-17-14(10-13)11-25(18(17)26)12-21(19(27)23-20(28)24-21)15-5-7-16(22)8-6-15/h4-10H,2-3,11-12H2,1H3,(H2,23,24,27,28).
What are the key properties of 5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 381.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 67579699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).