1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

C14H18N4O2 — CID 100624959

IUPAC1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESC=C(C)CNC(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C14H18N4O2/c1-10(2)9-16-13(19)17-11-4-3-5-12(8-11)18-7-6-15-14(18)20/h3-5,8H,1,6-7,9H2,2H3,(H,15,20)(H2,16,17,19)
InChIKeyVQZJJDAHTFUWRM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.91
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (PubChem CID 100624959) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
PubChem CID100624959
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESC=C(C)CNC(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C14H18N4O2/c1-10(2)9-16-13(19)17-11-4-3-5-12(8-11)18-7-6-15-14(18)20/h3-5,8H,1,6-7,9H2,2H3,(H,15,20)(H2,16,17,19)
InChIKeyVQZJJDAHTFUWRM-UHFFFAOYSA-N
XLogP1.91
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738130
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572
1-(furan-3-ylmethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 47039430
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738407
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738123
1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55797540
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 95904318
3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 63679045
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The IUPAC name of 1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (CID 100624959) is 1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is C=C(C)CNC(=O)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The InChIKey is VQZJJDAHTFUWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(2)9-16-13(19)17-11-4-3-5-12(8-11)18-7-6-15-14(18)20/h3-5,8H,1,6-7,9H2,2H3,(H,15,20)(H2,16,17,19).
What are the key properties of 1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea has a molecular weight of 274.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is sourced from PubChem (CID 100624959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).