3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione

C12H14BrN3O2 — CID 1421774

IUPAC3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CNc2ccc(Br)cc2)C1=O
InChIInChI=1S/C12H14BrN3O2/c1-12(2)10(17)16(11(18)15-12)7-14-9-5-3-8(13)4-6-9/h3-6,14H,7H2,1-2H3,(H,15,18)
InChIKeyBXPNOVWFROWKTC-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.15
Rot. Bonds3

About 3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 1421774) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID1421774
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CNc2ccc(Br)cc2)C1=O
InChIInChI=1S/C12H14BrN3O2/c1-12(2)10(17)16(11(18)15-12)7-14-9-5-3-8(13)4-6-9/h3-6,14H,7H2,1-2H3,(H,15,18)
InChIKeyBXPNOVWFROWKTC-UHFFFAOYSA-N
XLogP2.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dibromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2558770
3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 646337
3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 12847944
2-(4-bromophenoxy)ethyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703261
2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 158464291
N-(4-bromophenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580352
(1S,2R,6S,7S,8R,10R)-4-[(4-bromoanilino)methyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124712709
(1S,2R,6S,7S)-4-[(4-bromoanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23309389
(1R,2R,6S,7R)-4-[(4-bromoanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 20575687
N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 7241991
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 7269459

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 1421774) is 3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CNc2ccc(Br)cc2)C1=O.
What is the InChIKey of 3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is BXPNOVWFROWKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-12(2)10(17)16(11(18)15-12)7-14-9-5-3-8(13)4-6-9/h3-6,14H,7H2,1-2H3,(H,15,18).
What are the key properties of 3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 312.17 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 1421774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).