3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione

C13H13BrN2O2 — CID 87022605

IUPAC3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1ccccc1Br
InChIInChI=1S/C13H13BrN2O2/c14-11-4-2-1-3-9(11)7-16-12(17)8-15(13(16)18)10-5-6-10/h1-4,10H,5-8H2
InChIKeyCZVKTVMZVXTZAK-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.38
Rot. Bonds3

About 3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione

3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione (PubChem CID 87022605) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione
PubChem CID87022605
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1ccccc1Br
InChIInChI=1S/C13H13BrN2O2/c14-11-4-2-1-3-9(11)7-16-12(17)8-15(13(16)18)10-5-6-10/h1-4,10H,5-8H2
InChIKeyCZVKTVMZVXTZAK-UHFFFAOYSA-N
XLogP2.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-1-cyclopropylimidazolidine-2,4-dione
CID 87022344
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022662
1-cyclopropyl-3-phenacylimidazolidine-2,4-dione
CID 87022456
3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022751
1-cyclopropyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 87022452
3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid
CID 167942155
1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 60975356
1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 87022799
1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione
CID 102561143
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 87022608
1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 7757108
1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 86960667

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione (CID 87022605) is 3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione is O=C1CN(C2CC2)C(=O)N1Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
The InChIKey is CZVKTVMZVXTZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-11-4-2-1-3-9(11)7-16-12(17)8-15(13(16)18)10-5-6-10/h1-4,10H,5-8H2.
What are the key properties of 3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione has a molecular weight of 309.16 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 87022605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).