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

C18H16BrFN2O3 — CID 121479523

IUPACmethyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate
SMILESCOC(=O)C1CN(Cc2cccc(F)c2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C18H16BrFN2O3/c1-25-17(23)16-11-21(10-12-3-2-4-14(20)9-12)18(24)22(16)15-7-5-13(19)6-8-15/h2-9,16H,10-11H2,1H3
InChIKeyTYYPCXSXKVPRQJ-UHFFFAOYSA-N
MW407.24 g/mol
LogP3.57
Rot. Bonds4

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

methyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate (PubChem CID 121479523) has the molecular formula C18H16BrFN2O3 and a molecular weight of 407.24 g/mol. Its IUPAC name is methyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate
PubChem CID121479523
Molecular FormulaC18H16BrFN2O3
Molecular Weight407.24 g/mol
Exact Mass406.03
IUPAC Namemethyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate
SMILESCOC(=O)C1CN(Cc2cccc(F)c2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C18H16BrFN2O3/c1-25-17(23)16-11-21(10-12-3-2-4-14(20)9-12)18(24)22(16)15-7-5-13(19)6-8-15/h2-9,16H,10-11H2,1H3
InChIKeyTYYPCXSXKVPRQJ-UHFFFAOYSA-N
XLogP3.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.24
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of methyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate (CID 121479523) is methyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for methyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate is COC(=O)C1CN(Cc2cccc(F)c2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of methyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate?
The InChIKey is TYYPCXSXKVPRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O3/c1-25-17(23)16-11-21(10-12-3-2-4-14(20)9-12)18(24)22(16)15-7-5-13(19)6-8-15/h2-9,16H,10-11H2,1H3.
What are the key properties of methyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate?
methyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate has a molecular weight of 407.24 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 121479523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).