(1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea

C11H12N4O2 — CID 137225686

IUPAC(1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea
SMILESCN1CC(=O)N/C1=N/C(=O)Nc1ccccc1
InChIInChI=1S/C11H12N4O2/c1-15-7-9(16)13-10(15)14-11(17)12-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,16,17)
InChIKeyBSJGRAZXJZXELO-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.64
Rot. Bonds1

About (1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea

(1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea (PubChem CID 137225686) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is (1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea.

Molecular Properties

Compound Name(1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea
PubChem CID137225686
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name(1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea
SMILESCN1CC(=O)N/C1=N/C(=O)Nc1ccccc1
InChIInChI=1S/C11H12N4O2/c1-15-7-9(16)13-10(15)14-11(17)12-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,16,17)
InChIKeyBSJGRAZXJZXELO-UHFFFAOYSA-N
XLogP0.64
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis((3E)-1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea);hydrate
CID 139182832
1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea
CID 135999413
(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea
CID 135501318
(3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
CID 137156628
2-benzylimino-1-methylimidazolidin-4-one
CID 137219218
tert-butyl (NE)-N-(1-methyl-4-oxoimidazolidin-2-ylidene)carbamate
CID 139392415
2-bromo-3-methyl-N-(1-methyl-4-oxoimidazolidin-2-ylidene)butanamide
CID 135929251
CID 137227345
CID 137227345
1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide
CID 176646767
(2E)-2-hydrazinylidene-1-methylimidazolidin-4-one
CID 136626142
4-[(E)-(1-methyl-4-oxoimidazolidin-2-ylidene)amino]sulfonylbenzoic acid
CID 135882366
(2Z)-3-oxo-2-[(4-oxo-2-sulfanylideneimidazolidin-1-yl)methylidene]-N-phenylbutanamide
CID 6051256

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea?
The IUPAC name of (1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea (CID 137225686) is (1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea.
What is the SMILES notation for (1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea?
The canonical SMILES for (1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea is CN1CC(=O)N/C1=N/C(=O)Nc1ccccc1.
What is the InChIKey of (1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea?
The InChIKey is BSJGRAZXJZXELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-7-9(16)13-10(15)14-11(17)12-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,16,17).
What are the key properties of (1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea?
(1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea has a molecular weight of 232.24 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea is sourced from PubChem (CID 137225686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).