3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione

C15H15BrN2O4 — CID 87022662

IUPAC3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H15BrN2O4/c16-11-6-13-12(21-3-4-22-13)5-9(11)7-18-14(19)8-17(15(18)20)10-1-2-10/h5-6,10H,1-4,7-8H2
InChIKeyHXHOLLZFJSMQSN-UHFFFAOYSA-N
MW367.20 g/mol
LogP2.15
Rot. Bonds3

About 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione

3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione (PubChem CID 87022662) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione
PubChem CID87022662
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Name3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H15BrN2O4/c16-11-6-13-12(21-3-4-22-13)5-9(11)7-18-14(19)8-17(15(18)20)10-1-2-10/h5-6,10H,1-4,7-8H2
InChIKeyHXHOLLZFJSMQSN-UHFFFAOYSA-N
XLogP2.15
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione (CID 87022662) is 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione is O=C1CN(C2CC2)C(=O)N1Cc1cc2c(cc1Br)OCCO2.
What is the InChIKey of 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
The InChIKey is HXHOLLZFJSMQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c16-11-6-13-12(21-3-4-22-13)5-9(11)7-18-14(19)8-17(15(18)20)10-1-2-10/h5-6,10H,1-4,7-8H2.
What are the key properties of 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione has a molecular weight of 367.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 87022662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).