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

3-(4-methylphenyl)-1-{4-[1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}propan-1-one

ChemBase ID: 370329
Molecular Formular: C24H28N4O
Molecular Mass: 388.50532
Monoisotopic Mass: 388.22631154
SMILES and InChIs

SMILES:
n1(c(ncc1)C1CCN(C(=O)CCc2ccc(cc2)C)CC1)Cc1ccncc1
Canonical SMILES:
Cc1ccc(cc1)CCC(=O)N1CCC(CC1)c1nccn1Cc1ccncc1
InChI:
InChI=1S/C24H28N4O/c1-19-2-4-20(5-3-19)6-7-23(29)27-15-10-22(11-16-27)24-26-14-17-28(24)18-21-8-12-25-13-9-21/h2-5,8-9,12-14,17,22H,6-7,10-11,15-16,18H2,1H3
InChIKey:
TZRHLSKTBOGXRF-UHFFFAOYSA-N

Cite this record

CBID:370329 http://www.chembase.cn/molecule-370329.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-methylphenyl)-1-{4-[1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}propan-1-one
IUPAC Traditional name
3-(4-methylphenyl)-1-{4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl}propan-1-one
Synonyms
4-[(2-{1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl}-1H-imidazol-1-yl)methyl]pyridine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 18253491 external link Add to cart
Data Source Data ID Price
ChemBridge
18253491 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) 2.2844887  LogD (pH = 7.4) 3.18088 
Log P 3.2141674  Molar Refractivity 115.1675 cm3
Polarizability 44.17322 Å3 Polar Surface Area 51.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.84  LOG S -3.16 
Polar Surface Area 51.02 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