1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea

C11H11ClN4O2 — CID 135497698

IUPAC1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
SMILESCN1CC(=O)NC1=NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
InChIKeyDWPQODZAOSWNHB-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.29
Rot. Bonds1

About 1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea

1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea (PubChem CID 135497698) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
PubChem CID135497698
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
SMILESCN1CC(=O)NC1=NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
InChIKeyDWPQODZAOSWNHB-UHFFFAOYSA-N
XLogP1.29
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea (CID 135497698) is 1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea is CN1CC(=O)NC1=NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea?
The InChIKey is DWPQODZAOSWNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18).
What are the key properties of 1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea?
1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea has a molecular weight of 266.69 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea is sourced from PubChem (CID 135497698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).