1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione

C15H13FN2O3S — CID 71973738

IUPAC1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(Cc2csc3c(F)cccc23)C1=O
InChIInChI=1S/C15H13FN2O3S/c1-8(2)18-14(20)13(19)17(15(18)21)6-9-7-22-12-10(9)4-3-5-11(12)16/h3-5,7-8H,6H2,1-2H3
InChIKeyMTCINHPVAFUPEA-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.74
Rot. Bonds3

About 1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione

1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione (PubChem CID 71973738) has the molecular formula C15H13FN2O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
PubChem CID71973738
Molecular FormulaC15H13FN2O3S
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC Name1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(Cc2csc3c(F)cccc23)C1=O
InChIInChI=1S/C15H13FN2O3S/c1-8(2)18-14(20)13(19)17(15(18)21)6-9-7-22-12-10(9)4-3-5-11(12)16/h3-5,7-8H,6H2,1-2H3
InChIKeyMTCINHPVAFUPEA-UHFFFAOYSA-N
XLogP2.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione (CID 71973738) is 1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione is CC(C)N1C(=O)C(=O)N(Cc2csc3c(F)cccc23)C1=O.
What is the InChIKey of 1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The InChIKey is MTCINHPVAFUPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c1-8(2)18-14(20)13(19)17(15(18)21)6-9-7-22-12-10(9)4-3-5-11(12)16/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione has a molecular weight of 320.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione is sourced from PubChem (CID 71973738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).