1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea

C13H15BrN4O3 — CID 130293564

IUPAC1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea
SMILESCCC1(C)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H15BrN4O3/c1-3-13(2)10(19)18(12(21)16-13)17-11(20)15-9-6-4-8(14)5-7-9/h4-7H,3H2,1-2H3,(H,16,21)(H2,15,17,20)
InChIKeyYKIHQPBZNREHEL-UHFFFAOYSA-N
MW355.19 g/mol
LogP2.21
Rot. Bonds3

About 1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea

1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea (PubChem CID 130293564) has the molecular formula C13H15BrN4O3 and a molecular weight of 355.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea
PubChem CID130293564
Molecular FormulaC13H15BrN4O3
Molecular Weight355.19 g/mol
Exact Mass354.03
IUPAC Name1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea
SMILESCCC1(C)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H15BrN4O3/c1-3-13(2)10(19)18(12(21)16-13)17-11(20)15-9-6-4-8(14)5-7-9/h4-7H,3H2,1-2H3,(H,16,21)(H2,15,17,20)
InChIKeyYKIHQPBZNREHEL-UHFFFAOYSA-N
XLogP2.21
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 52.21
H-Bond Donors ≤ 53
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 1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea (CID 130293564) is 1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea is CCC1(C)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea?
The InChIKey is YKIHQPBZNREHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O3/c1-3-13(2)10(19)18(12(21)16-13)17-11(20)15-9-6-4-8(14)5-7-9/h4-7H,3H2,1-2H3,(H,16,21)(H2,15,17,20).
What are the key properties of 1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea?
1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea has a molecular weight of 355.19 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)urea is sourced from PubChem (CID 130293564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).