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105510-41-6 molecular structure
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5-methyl-1-phenylimidazolidine-2,4-dione

ChemBase ID: 253169
Molecular Formular: C10H10N2O2
Molecular Mass: 190.1986
Monoisotopic Mass: 190.07422757
SMILES and InChIs

SMILES:
C1(=O)NC(=O)C(N1c1ccccc1)C
Canonical SMILES:
CC1C(=O)NC(=O)N1c1ccccc1
InChI:
InChI=1S/C10H10N2O2/c1-7-9(13)11-10(14)12(7)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,13,14)
InChIKey:
ZCAXVIHEALTJJY-UHFFFAOYSA-N

Cite this record

CBID:253169 http://www.chembase.cn/molecule-253169.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-1-phenylimidazolidine-2,4-dione
IUPAC Traditional name
5-methyl-1-phenylimidazolidine-2,4-dione
Synonyms
5-methyl-1-phenylimidazolidine-2,4-dione
CAS Number
105510-41-6
MDL Number
MFCD00182103
PubChem SID
164309079
PubChem CID
2829827

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-26628 external link Add to cart Please log in.
Data Source Data ID
PubChem 2829827 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.328451  H Acceptors
H Donor LogD (pH = 5.5) 1.0001146 
LogD (pH = 7.4) 0.99514586  Log P 1.0001783 
Molar Refractivity 50.2143 cm3 Polarizability 19.386448 Å3
Polar Surface Area 49.41 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
147 - 149°C expand Show data source
Hydrophobicity(logP)
1.353 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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