1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione

C10H7BrF2N2O2 — CID 106266616

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2c(F)ccc(Br)c2F)C(=O)N1
InChIInChI=1S/C10H7BrF2N2O2/c11-6-1-2-7(12)5(9(6)13)3-15-4-8(16)14-10(15)17/h1-2H,3-4H2,(H,14,16,17)
InChIKeyUVQGPFBJUPYCEJ-UHFFFAOYSA-N
MW305.08 g/mol
LogP1.78
Rot. Bonds2

About 1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione

1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 106266616) has the molecular formula C10H7BrF2N2O2 and a molecular weight of 305.08 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID106266616
Molecular FormulaC10H7BrF2N2O2
Molecular Weight305.08 g/mol
Exact Mass303.97
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2c(F)ccc(Br)c2F)C(=O)N1
InChIInChI=1S/C10H7BrF2N2O2/c11-6-1-2-7(12)5(9(6)13)3-15-4-8(16)14-10(15)17/h1-2H,3-4H2,(H,14,16,17)
InChIKeyUVQGPFBJUPYCEJ-UHFFFAOYSA-N
XLogP1.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-2,6-difluorophenyl)methyl]-4-ethylpiperazine-2,3-dione
CID 106269330
1-[(3-bromo-2,6-difluorophenyl)methyl]azocan-2-one
CID 106269349
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-ethylpiperazin-2-one
CID 106270822
1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 65326183
6-amino-2-[(3-bromo-2,6-difluorophenyl)methyl]pyridazin-3-one
CID 114166631
4-[(3-bromo-2,6-difluorophenyl)methyl]-1-methyl-1,4-diazepan-2-one
CID 106269267
1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione
CID 85448287
1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 106269290
2-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 106268410
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 106264340
1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine
CID 106264339

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione (CID 106266616) is 1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione is O=C1CN(Cc2c(F)ccc(Br)c2F)C(=O)N1.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is UVQGPFBJUPYCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2O2/c11-6-1-2-7(12)5(9(6)13)3-15-4-8(16)14-10(15)17/h1-2H,3-4H2,(H,14,16,17).
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione?
1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 305.08 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 106266616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).