Home > Compound List > Compound details
 molecular structure
click picture or here to close

1-(2-methoxy-2-methylpropyl)-2-[4-(1H-pyrazol-1-ylmethyl)phenyl]-1H-imidazole

ChemBase ID: 321191
Molecular Formular: C18H22N4O
Molecular Mass: 310.39348
Monoisotopic Mass: 310.17936134
SMILES and InChIs

SMILES:
n1(c(ncc1)c1ccc(Cn2nccc2)cc1)CC(OC)(C)C
Canonical SMILES:
COC(Cn1ccnc1c1ccc(cc1)Cn1cccn1)(C)C
InChI:
InChI=1S/C18H22N4O/c1-18(2,23-3)14-21-12-10-19-17(21)16-7-5-15(6-8-16)13-22-11-4-9-20-22/h4-12H,13-14H2,1-3H3
InChIKey:
FMLYXWDAJFLVNI-UHFFFAOYSA-N

Cite this record

CBID:321191 http://www.chembase.cn/molecule-321191.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methoxy-2-methylpropyl)-2-[4-(1H-pyrazol-1-ylmethyl)phenyl]-1H-imidazole
IUPAC Traditional name
1-(2-methoxy-2-methylpropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]imidazole
Synonyms
1-{4-[1-(2-methoxy-2-methylpropyl)-1H-imidazol-2-yl]benzyl}-1H-pyrazole

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11111781 external link Add to cart
Data Source Data ID Price
ChemBridge
11111781 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.314204  LogD (pH = 7.4) 2.8846855 
Log P 2.9057314  Molar Refractivity 112.6276 cm3
Polarizability 35.39201 Å3 Polar Surface Area 44.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.77  LOG S -2.98 
Polar Surface Area 44.87 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle