3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione

C11H19BrN2O2 — CID 65011693

IUPAC3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(C)C(CBr)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H19BrN2O2/c1-7(2)8(5-12)6-14-9(15)11(3,4)13-10(14)16/h7-8H,5-6H2,1-4H3,(H,13,16)
InChIKeyDMSYOZXGFXQLQY-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.98
Rot. Bonds4

About 3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 65011693) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID65011693
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(C)C(CBr)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H19BrN2O2/c1-7(2)8(5-12)6-14-9(15)11(3,4)13-10(14)16/h7-8H,5-6H2,1-4H3,(H,13,16)
InChIKeyDMSYOZXGFXQLQY-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(bromomethyl)-3-methylbutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 65011583
3-[2-(bromomethyl)-3-methylbutyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 65011638
3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 12847944
3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94753955
2-[2-(bromomethyl)-3-methylbutyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886941
3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione
CID 126615558
1,3,5-tris[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
CID 5086374
3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 64995551
1-[2-(bromomethyl)-3-methylbutyl]-3-methylimidazolidine-2,4,5-trione
CID 65012329
3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane
CID 142089489
3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 64995612
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087

Frequently Asked Questions

What is the IUPAC name of 3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione (CID 65011693) is 3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione is CC(C)C(CBr)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is DMSYOZXGFXQLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-7(2)8(5-12)6-14-9(15)11(3,4)13-10(14)16/h7-8H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 291.19 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 65011693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).