3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione

C15H27BrN2O2 — CID 65006513

IUPAC3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCCC(CBr)(CCC)CN1C(=O)NC(C)(CC)C1=O
InChIInChI=1S/C15H27BrN2O2/c1-5-8-15(10-16,9-6-2)11-18-12(19)14(4,7-3)17-13(18)20/h5-11H2,1-4H3,(H,17,20)
InChIKeyOCQJPKLAXCRQNO-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.69
Rot. Bonds8

About 3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione

3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 65006513) has the molecular formula C15H27BrN2O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID65006513
Molecular FormulaC15H27BrN2O2
Molecular Weight347.30 g/mol
Exact Mass346.13
IUPAC Name3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCCC(CBr)(CCC)CN1C(=O)NC(C)(CC)C1=O
InChIInChI=1S/C15H27BrN2O2/c1-5-8-15(10-16,9-6-2)11-18-12(19)14(4,7-3)17-13(18)20/h5-11H2,1-4H3,(H,17,20)
InChIKeyOCQJPKLAXCRQNO-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.69
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 65006513) is 3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CCCC(CBr)(CCC)CN1C(=O)NC(C)(CC)C1=O.
What is the InChIKey of 3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is OCQJPKLAXCRQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN2O2/c1-5-8-15(10-16,9-6-2)11-18-12(19)14(4,7-3)17-13(18)20/h5-11H2,1-4H3,(H,17,20).
What are the key properties of 3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 347.30 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 65006513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).