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

C14H17BrN4O3 — CID 71571934

IUPAC1-(4-bromophenyl)-3-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea
SMILESCCC1(CC)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H17BrN4O3/c1-3-14(4-2)11(20)19(13(22)17-14)18-12(21)16-10-7-5-9(15)6-8-10/h5-8H,3-4H2,1-2H3,(H,17,22)(H2,16,18,21)
InChIKeyAXJMAFCPYUOIEO-UHFFFAOYSA-N
MW369.22 g/mol
LogP2.60
Rot. Bonds4

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

1-(4-bromophenyl)-3-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea (PubChem CID 71571934) has the molecular formula C14H17BrN4O3 and a molecular weight of 369.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea
PubChem CID71571934
Molecular FormulaC14H17BrN4O3
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC Name1-(4-bromophenyl)-3-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea
SMILESCCC1(CC)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H17BrN4O3/c1-3-14(4-2)11(20)19(13(22)17-14)18-12(21)16-10-7-5-9(15)6-8-10/h5-8H,3-4H2,1-2H3,(H,17,22)(H2,16,18,21)
InChIKeyAXJMAFCPYUOIEO-UHFFFAOYSA-N
XLogP2.60
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 52.60
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-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea (CID 71571934) is 1-(4-bromophenyl)-3-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea is CCC1(CC)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-(4-bromophenyl)-3-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea?
The InChIKey is AXJMAFCPYUOIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O3/c1-3-14(4-2)11(20)19(13(22)17-14)18-12(21)16-10-7-5-9(15)6-8-10/h5-8H,3-4H2,1-2H3,(H,17,22)(H2,16,18,21).
What are the key properties of 1-(4-bromophenyl)-3-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea?
1-(4-bromophenyl)-3-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea has a molecular weight of 369.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)urea is sourced from PubChem (CID 71571934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).