ethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate

C19H18BrFN2O3 — CID 121479520

IUPACethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate
SMILESCCOC(=O)C1CN(c2ccc(Br)cc2)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C19H18BrFN2O3/c1-2-26-18(24)17-12-22(16-8-6-14(20)7-9-16)19(25)23(17)11-13-4-3-5-15(21)10-13/h3-10,17H,2,11-12H2,1H3
InChIKeyDYTUEMCDMKQUGA-UHFFFAOYSA-N
MW421.27 g/mol
LogP3.96
Rot. Bonds5

About ethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate

ethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate (PubChem CID 121479520) has the molecular formula C19H18BrFN2O3 and a molecular weight of 421.27 g/mol. Its IUPAC name is ethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate
PubChem CID121479520
Molecular FormulaC19H18BrFN2O3
Molecular Weight421.27 g/mol
Exact Mass420.05
IUPAC Nameethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate
SMILESCCOC(=O)C1CN(c2ccc(Br)cc2)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C19H18BrFN2O3/c1-2-26-18(24)17-12-22(16-8-6-14(20)7-9-16)19(25)23(17)11-13-4-3-5-15(21)10-13/h3-10,17H,2,11-12H2,1H3
InChIKeyDYTUEMCDMKQUGA-UHFFFAOYSA-N
XLogP3.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.27
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate (CID 121479520) is ethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate is CCOC(=O)C1CN(c2ccc(Br)cc2)C(=O)N1Cc1cccc(F)c1.
What is the InChIKey of ethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate?
The InChIKey is DYTUEMCDMKQUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2O3/c1-2-26-18(24)17-12-22(16-8-6-14(20)7-9-16)19(25)23(17)11-13-4-3-5-15(21)10-13/h3-10,17H,2,11-12H2,1H3.
What are the key properties of ethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate?
ethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate has a molecular weight of 421.27 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-bromophenyl)-3-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 121479520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).