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65571-68-8 molecular structure
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4-(4-chlorophenyl)-5-methyl-1H-imidazole

ChemBase ID: 816225
Molecular Formular: C10H9ClN2
Molecular Mass: 192.64486
Monoisotopic Mass: 192.04542598
SMILES and InChIs

SMILES:
[nH]1cnc(c1C)c1ccc(cc1)Cl
Canonical SMILES:
Clc1ccc(cc1)c1nc[nH]c1C
InChI:
InChI=1S/C10H9ClN2/c1-7-10(13-6-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKey:
MBKWNJVQSFBLQI-UHFFFAOYSA-N

Cite this record

CBID:816225 http://www.chembase.cn/molecule-816225.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-chlorophenyl)-5-methyl-1H-imidazole
IUPAC Traditional name
4-(4-chlorophenyl)-5-methyl-1H-imidazole
Synonyms
4-(4-CHLORO-PHENYL)-5-METHYL-1H-IMIDAZOLE
CAS Number
65571-68-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O40208 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O40208 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.024364  H Acceptors
H Donor LogD (pH = 5.5) 1.9386585 
LogD (pH = 7.4) 2.6479473  Log P 2.6914575 
Molar Refractivity 53.7315 cm3 Polarizability 21.727129 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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