2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid

C15H15BrN2O4 — CID 19702272

IUPAC2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2ccc(Br)cc2)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H15BrN2O4/c16-9-3-1-8(2-4-9)5-6-15(11-7-10(11)12(19)20)13(21)17-14(22)18-15/h1-4,10-11H,5-7H2,(H,19,20)(H2,17,18,21,22)
InChIKeyCCWAYWQPXOALJR-UHFFFAOYSA-N
MW367.20 g/mol
LogP1.68
Rot. Bonds5

About 2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid

2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 19702272) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is 2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID19702272
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Name2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2ccc(Br)cc2)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H15BrN2O4/c16-9-3-1-8(2-4-9)5-6-15(11-7-10(11)12(19)20)13(21)17-14(22)18-15/h1-4,10-11H,5-7H2,(H,19,20)(H2,17,18,21,22)
InChIKeyCCWAYWQPXOALJR-UHFFFAOYSA-N
XLogP1.68
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 51.68
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 2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (CID 19702272) is 2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is O=C1NC(=O)C(CCc2ccc(Br)cc2)(C2CC2C(=O)O)N1.
What is the InChIKey of 2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is CCWAYWQPXOALJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c16-9-3-1-8(2-4-9)5-6-15(11-7-10(11)12(19)20)13(21)17-14(22)18-15/h1-4,10-11H,5-7H2,(H,19,20)(H2,17,18,21,22).
What are the key properties of 2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 367.20 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 19702272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).