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160041-64-5 molecular structure
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N-(5-phenyl-1H-imidazol-2-yl)acetamide

ChemBase ID: 804277
Molecular Formular: C11H11N3O
Molecular Mass: 201.22454
Monoisotopic Mass: 201.09021199
SMILES and InChIs

SMILES:
CC(=O)Nc1[nH]c(cn1)c1ccccc1
Canonical SMILES:
CC(=O)Nc1ncc([nH]1)c1ccccc1
InChI:
InChI=1S/C11H11N3O/c1-8(15)13-11-12-7-10(14-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14,15)
InChIKey:
FHPJRPZJOWONDO-UHFFFAOYSA-N

Cite this record

CBID:804277 http://www.chembase.cn/molecule-804277.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(5-phenyl-1H-imidazol-2-yl)acetamide
IUPAC Traditional name
N-(4-phenyl-3H-imidazol-2-yl)acetamide
Synonyms
N-(5-PHENYL-1H-IMIDAZOL-2-YL)ACETAMIDE
CAS Number
160041-64-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21190 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21190 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) 1.3413488 
LogD (pH = 7.4) 1.3423581  Log P 1.3439627 
Molar Refractivity 58.3628 cm3 Polarizability 22.976994 Å3
Polar Surface Area 57.78 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 9.803577 
H Acceptors

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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