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60472-20-0 molecular structure
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5-(4-methoxyphenyl)-1H-imidazol-2-amine

ChemBase ID: 144091
Molecular Formular: C10H11N3O
Molecular Mass: 189.21384
Monoisotopic Mass: 189.09021199
SMILES and InChIs

SMILES:
COc1ccc(cc1)c1cnc([nH]1)N
Canonical SMILES:
COc1ccc(cc1)c1cnc([nH]1)N
InChI:
InChI=1S/C10H11N3O/c1-14-8-4-2-7(3-5-8)9-6-12-10(11)13-9/h2-6H,1H3,(H3,11,12,13)
InChIKey:
LLAWLJKKTBJSEI-UHFFFAOYSA-N

Cite this record

CBID:144091 http://www.chembase.cn/molecule-144091.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-methoxyphenyl)-1H-imidazol-2-amine
IUPAC Traditional name
4-(4-methoxyphenyl)-3H-imidazol-2-amine
Synonyms
5-(4-Methoxyphenyl)-1H-imidazol-2-amine
5-(4-methoxyphenyl)-1H-imidazol-2-amine
CAS Number
60472-20-0
MDL Number
MFCD07382494
MFCD03308787
PubChem SID
162238308
PubChem CID
12733697

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12733697 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.716273  H Acceptors
H Donor LogD (pH = 5.5) 0.047675513 
LogD (pH = 7.4) 0.18760432  Log P 1.119655 
Molar Refractivity 54.6634 cm3 Polarizability 21.741425 Å3
Polar Surface Area 63.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Empirical Formula (Hill Notation)
C10H11N3O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00460 external link
Other Notes
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Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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