2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid

C15H15BrN2O4 — CID 19702256

IUPAC2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2cccc(Br)c2)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H15BrN2O4/c16-9-3-1-2-8(6-9)4-5-15(11-7-10(11)12(19)20)13(21)17-14(22)18-15/h1-3,6,10-11H,4-5,7H2,(H,19,20)(H2,17,18,21,22)
InChIKeyRWNQRCXLKFACLH-UHFFFAOYSA-N
MW367.20 g/mol
LogP1.68
Rot. Bonds5

About 2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid

2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 19702256) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is 2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID19702256
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Name2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2cccc(Br)c2)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H15BrN2O4/c16-9-3-1-2-8(6-9)4-5-15(11-7-10(11)12(19)20)13(21)17-14(22)18-15/h1-3,6,10-11H,4-5,7H2,(H,19,20)(H2,17,18,21,22)
InChIKeyRWNQRCXLKFACLH-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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Related Compounds

2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 19702244
trans-(1S,2S)-2-[4-[2-(3-aminophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 10709542
2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 19702272
2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 19702207
2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 19702280
2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 19702158
2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 19702216
5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56715890
1-[2-(3-bromophenyl)ethyl]cyclopropan-1-ol
CID 84702390
3-[2-(3-bromophenyl)ethyl-methylamino]cyclobutane-1-carboxylic acid
CID 117043036
3-(3-bromophenyl)propanoyl chloride
CID 12607235
1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol
CID 115073744

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (CID 19702256) is 2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is O=C1NC(=O)C(CCc2cccc(Br)c2)(C2CC2C(=O)O)N1.
What is the InChIKey of 2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is RWNQRCXLKFACLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c16-9-3-1-2-8(6-9)4-5-15(11-7-10(11)12(19)20)13(21)17-14(22)18-15/h1-3,6,10-11H,4-5,7H2,(H,19,20)(H2,17,18,21,22).
What are the key properties of 2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
2-[4-[2-(3-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-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 19702256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).