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13682-34-3 molecular structure
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2-[(Z)-2-phenylethenyl]-1H-imidazole

ChemBase ID: 798990
Molecular Formular: C11H10N2
Molecular Mass: 170.2105
Monoisotopic Mass: 170.08439833
SMILES and InChIs

SMILES:
[nH]1c(ncc1)/C=C\c1ccccc1
Canonical SMILES:
c1ccc(cc1)/C=C\c1ncc[nH]1
InChI:
InChI=1S/C11H10N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-9H,(H,12,13)/b7-6-
InChIKey:
OPHSKKPSEMOQLM-SREVYHEPSA-N

Cite this record

CBID:798990 http://www.chembase.cn/molecule-798990.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(Z)-2-phenylethenyl]-1H-imidazole
IUPAC Traditional name
2-[(Z)-2-phenylethenyl]-1H-imidazole
Synonyms
(Z)-2-styryl-1H-imidazole
CAS Number
13682-34-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13151 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13151 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.8246  H Acceptors
H Donor LogD (pH = 5.5) 1.6401585 
LogD (pH = 7.4) 2.3721619  Log P 2.4199724 
Molar Refractivity 53.8697 cm3 Polarizability 20.364094 Å3
Polar Surface Area 28.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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