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101953-61-1 molecular structure
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1-(2-ethoxyethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

ChemBase ID: 798484
Molecular Formular: C11H14N2O2
Molecular Mass: 206.24106
Monoisotopic Mass: 206.1055277
SMILES and InChIs

SMILES:
c12n(c(=O)[nH]c1cccc2)CCOCC
Canonical SMILES:
CCOCCn1c(=O)[nH]c2c1cccc2
InChI:
InChI=1S/C11H14N2O2/c1-2-15-8-7-13-10-6-4-3-5-9(10)12-11(13)14/h3-6H,2,7-8H2,1H3,(H,12,14)
InChIKey:
HRNPRTVOKYBKGI-UHFFFAOYSA-N

Cite this record

CBID:798484 http://www.chembase.cn/molecule-798484.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-ethoxyethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
IUPAC Traditional name
1-(2-ethoxyethyl)-3H-1,3-benzodiazol-2-one
Synonyms
1-(2-ethoxyethyl)-1,3-dihydro-2h-benzimidazol-2-one
CAS Number
101953-61-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O11356 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O11356 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.905772  H Acceptors
H Donor LogD (pH = 5.5) 1.5002412 
LogD (pH = 7.4) 1.5002398  Log P 1.5002412 
Molar Refractivity 58.9028 cm3 Polarizability 21.823853 Å3
Polar Surface Area 41.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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