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2-[3-(4-methoxy-2-methylphenyl)benzoyl]-1-methyl-1H-imidazole

ChemBase ID: 321671
Molecular Formular: C19H18N2O2
Molecular Mass: 306.35842
Monoisotopic Mass: 306.13682783
SMILES and InChIs

SMILES:
c1(C(=O)c2cc(c3c(cc(cc3)OC)C)ccc2)n(ccn1)C
Canonical SMILES:
COc1ccc(c(c1)C)c1cccc(c1)C(=O)c1nccn1C
InChI:
InChI=1S/C19H18N2O2/c1-13-11-16(23-3)7-8-17(13)14-5-4-6-15(12-14)18(22)19-20-9-10-21(19)2/h4-12H,1-3H3
InChIKey:
ITYROKHHCZWKNC-UHFFFAOYSA-N

Cite this record

CBID:321671 http://www.chembase.cn/molecule-321671.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[3-(4-methoxy-2-methylphenyl)benzoyl]-1-methyl-1H-imidazole
IUPAC Traditional name
2-[3-(4-methoxy-2-methylphenyl)benzoyl]-1-methylimidazole
Synonyms
(4'-methoxy-2'-methylbiphenyl-3-yl)(1-methyl-1H-imidazol-2-yl)methanone

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11181614 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.9024475  LogD (pH = 7.4) 3.918121 
Log P 3.9183252  Molar Refractivity 90.6028 cm3
Polarizability 35.818996 Å3 Polar Surface Area 44.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.79  LOG S -4.67 
Polar Surface Area 44.12 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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