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

2-methyl-6-[1-(pentan-2-yl)-1H-imidazol-2-yl]pyridine

ChemBase ID: 340061
Molecular Formular: C14H19N3
Molecular Mass: 229.32076
Monoisotopic Mass: 229.15789762
SMILES and InChIs

SMILES:
c1(n(ccn1)C(CCC)C)c1nc(ccc1)C
Canonical SMILES:
CCCC(n1ccnc1c1cccc(n1)C)C
InChI:
InChI=1S/C14H19N3/c1-4-6-12(3)17-10-9-15-14(17)13-8-5-7-11(2)16-13/h5,7-10,12H,4,6H2,1-3H3
InChIKey:
RFJQKFSJBPRZFO-UHFFFAOYSA-N

Cite this record

CBID:340061 http://www.chembase.cn/molecule-340061.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-6-[1-(pentan-2-yl)-1H-imidazol-2-yl]pyridine
IUPAC Traditional name
2-methyl-6-[1-(pentan-2-yl)imidazol-2-yl]pyridine
Synonyms
2-methyl-6-[1-(1-methylbutyl)-1H-imidazol-2-yl]pyridine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13819604 external link Add to cart
Data Source Data ID Price
ChemBridge
13819604 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) 3.1412292  LogD (pH = 7.4) 3.1432188 
Log P 3.1432443  Molar Refractivity 79.3661 cm3
Polarizability 27.438337 Å3 Polar Surface Area 30.71 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.82  LOG S -3.28 
Polar Surface Area 30.71 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