1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea

C14H18N4O2 — CID 54230876

IUPAC1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)N=C1N(C)CC(=O)N1C
InChIInChI=1S/C14H18N4O2/c1-9-6-5-7-10(2)12(9)15-13(20)16-14-17(3)8-11(19)18(14)4/h5-7H,8H2,1-4H3,(H,15,20)
InChIKeyQJEFFCBCSNNXRH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.60
Rot. Bonds1

About 1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea

1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea (PubChem CID 54230876) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea
PubChem CID54230876
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)N=C1N(C)CC(=O)N1C
InChIInChI=1S/C14H18N4O2/c1-9-6-5-7-10(2)12(9)15-13(20)16-14-17(3)8-11(19)18(14)4/h5-7H,8H2,1-4H3,(H,15,20)
InChIKeyQJEFFCBCSNNXRH-UHFFFAOYSA-N
XLogP1.60
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dimethyl-4-oxoimidazolidin-2-yl)-3-(2,6-dimethylphenyl)urea
CID 150855442
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea
CID 54529047
1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride
CID 3052078
1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea
CID 3050627
1-(2,6-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991406
N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527636
2-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 154768732
N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 64680059
N-(2,6-dimethylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 23633112
N-(2,6-dimethylphenyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110857573
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea (CID 54230876) is 1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)N=C1N(C)CC(=O)N1C.
What is the InChIKey of 1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea?
The InChIKey is QJEFFCBCSNNXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-6-5-7-10(2)12(9)15-13(20)16-14-17(3)8-11(19)18(14)4/h5-7H,8H2,1-4H3,(H,15,20).
What are the key properties of 1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea?
1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea has a molecular weight of 274.32 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 54230876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).