5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione

C16H19BrN2O3 — CID 43001037

IUPAC5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(c2cccc(Br)c2)NC(=O)N(CC2CCCCO2)C1=O
InChIInChI=1S/C16H19BrN2O3/c1-16(11-5-4-6-12(17)9-11)14(20)19(15(21)18-16)10-13-7-2-3-8-22-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,18,21)
InChIKeyAJEKWWUTECKIPE-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.79
Rot. Bonds3

About 5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione

5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 43001037) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID43001037
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(c2cccc(Br)c2)NC(=O)N(CC2CCCCO2)C1=O
InChIInChI=1S/C16H19BrN2O3/c1-16(11-5-4-6-12(17)9-11)14(20)19(15(21)18-16)10-13-7-2-3-8-22-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,18,21)
InChIKeyAJEKWWUTECKIPE-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione (CID 43001037) is 5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione is CC1(c2cccc(Br)c2)NC(=O)N(CC2CCCCO2)C1=O.
What is the InChIKey of 5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is AJEKWWUTECKIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-16(11-5-4-6-12(17)9-11)14(20)19(15(21)18-16)10-13-7-2-3-8-22-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,18,21).
What are the key properties of 5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione?
5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 367.24 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 43001037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).