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73225-15-7 molecular structure
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2-methyl-1-(4-nitrophenyl)-1H-imidazole

ChemBase ID: 66474
Molecular Formular: C10H9N3O2
Molecular Mass: 203.19736
Monoisotopic Mass: 203.06947654
SMILES and InChIs

SMILES:
c1(nccn1c1ccc(cc1)[N+](=O)[O-])C
Canonical SMILES:
Cc1nccn1c1ccc(cc1)[N+](=O)[O-]
InChI:
InChI=1S/C10H9N3O2/c1-8-11-6-7-12(8)9-2-4-10(5-3-9)13(14)15/h2-7H,1H3
InChIKey:
GSDHPOQTEXEBDN-UHFFFAOYSA-N

Cite this record

CBID:66474 http://www.chembase.cn/molecule-66474.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-1-(4-nitrophenyl)-1H-imidazole
IUPAC Traditional name
2-methyl-1-(4-nitrophenyl)imidazole
Synonyms
2-Methyl-1-(4-nitrophenyl)-1H-imidazole
CAS Number
73225-15-7
MDL Number
MFCD06797789
PubChem SID
162032212
PubChem CID
10013118

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10013118 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.39935514  LogD (pH = 7.4) 1.3574206 
Log P 1.4973  Molar Refractivity 64.7676 cm3
Polarizability 21.041971 Å3 Polar Surface Area 60.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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