1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea

C13H18N4O2 — CID 78917136

IUPAC1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESCCN(C)C(=O)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C13H18N4O2/c1-3-16(2)13(19)15-10-4-6-11(7-5-10)17-9-8-14-12(17)18/h4-7H,3,8-9H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyXDGWUCYZJMCIAX-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.70
Rot. Bonds3

About 1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea

1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea (PubChem CID 78917136) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
PubChem CID78917136
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESCCN(C)C(=O)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C13H18N4O2/c1-3-16(2)13(19)15-10-4-6-11(7-5-10)17-9-8-14-12(17)18/h4-7H,3,8-9H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyXDGWUCYZJMCIAX-UHFFFAOYSA-N
XLogP1.70
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea?
The IUPAC name of 1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea (CID 78917136) is 1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea is CCN(C)C(=O)Nc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of 1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea?
The InChIKey is XDGWUCYZJMCIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-16(2)13(19)15-10-4-6-11(7-5-10)17-9-8-14-12(17)18/h4-7H,3,8-9H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of 1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea?
1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea has a molecular weight of 262.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea is sourced from PubChem (CID 78917136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).