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dimethyl[2-(2-{1-[4-(propan-2-yloxy)benzoyl]piperidin-3-yl}-1H-imidazol-1-yl)ethyl]amine

ChemBase ID: 865651
Molecular Formular: C22H32N4O2
Molecular Mass: 384.51508
Monoisotopic Mass: 384.25252628
SMILES and InChIs

SMILES:
c1(C2CN(C(=O)c3ccc(OC(C)C)cc3)CCC2)n(ccn1)CCN(C)C
Canonical SMILES:
CN(CCn1ccnc1C1CCCN(C1)C(=O)c1ccc(cc1)OC(C)C)C
InChI:
InChI=1S/C22H32N4O2/c1-17(2)28-20-9-7-18(8-10-20)22(27)26-12-5-6-19(16-26)21-23-11-13-25(21)15-14-24(3)4/h7-11,13,17,19H,5-6,12,14-16H2,1-4H3
InChIKey:
RBFNMGUWCRCNDR-UHFFFAOYSA-N

Cite this record

CBID:865651 http://www.chembase.cn/molecule-865651.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl[2-(2-{1-[4-(propan-2-yloxy)benzoyl]piperidin-3-yl}-1H-imidazol-1-yl)ethyl]amine
IUPAC Traditional name
(2-{2-[1-(4-isopropoxybenzoyl)piperidin-3-yl]imidazol-1-yl}ethyl)dimethylamine
Synonyms
(2-{2-[1-(4-isopropoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)dimethylamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66715423 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) -0.92530704  LogD (pH = 7.4) 1.0301658 
Log P 2.559475  Molar Refractivity 112.5139 cm3
Polarizability 43.056965 Å3 Polar Surface Area 50.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.18  LOG S -3.87 
Polar Surface Area 50.6 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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