methyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate

C19H17N3O3 — CID 15035936

IUPACmethyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ccc(-c3ccc(C#N)cc3)cc2)C1=O
InChIInChI=1S/C19H17N3O3/c1-25-18(23)13-21-10-11-22(19(21)24)17-8-6-16(7-9-17)15-4-2-14(12-20)3-5-15/h2-9H,10-11,13H2,1H3
InChIKeyLFUFABDEUSVBOE-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.64
Rot. Bonds4

About methyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate

methyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate (PubChem CID 15035936) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate
PubChem CID15035936
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Namemethyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ccc(-c3ccc(C#N)cc3)cc2)C1=O
InChIInChI=1S/C19H17N3O3/c1-25-18(23)13-21-10-11-22(19(21)24)17-8-6-16(7-9-17)15-4-2-14(12-20)3-5-15/h2-9H,10-11,13H2,1H3
InChIKeyLFUFABDEUSVBOE-UHFFFAOYSA-N
XLogP2.64
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate (CID 15035936) is methyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate is COC(=O)CN1CCN(c2ccc(-c3ccc(C#N)cc3)cc2)C1=O.
What is the InChIKey of methyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is LFUFABDEUSVBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-18(23)13-21-10-11-22(19(21)24)17-8-6-16(7-9-17)15-4-2-14(12-20)3-5-15/h2-9H,10-11,13H2,1H3.
What are the key properties of methyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate?
methyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 335.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[4-(4-cyanophenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 15035936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).