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1-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-4-(propan-2-yl)piperazine

ChemBase ID: 865770
Molecular Formular: C18H26N4
Molecular Mass: 298.42584
Monoisotopic Mass: 298.21574685
SMILES and InChIs

SMILES:
n1c(c([nH]c1c1ccccc1)C)CN1CCN(CC1)C(C)C
Canonical SMILES:
CC(N1CCN(CC1)Cc1nc([nH]c1C)c1ccccc1)C
InChI:
InChI=1S/C18H26N4/c1-14(2)22-11-9-21(10-12-22)13-17-15(3)19-18(20-17)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,19,20)
InChIKey:
NXCRNSQXHNYECF-UHFFFAOYSA-N

Cite this record

CBID:865770 http://www.chembase.cn/molecule-865770.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-4-(propan-2-yl)piperazine
IUPAC Traditional name
1-isopropyl-4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazine
Synonyms
1-isopropyl-4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66735057 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.520225  H Acceptors
H Donor LogD (pH = 5.5) -0.609737 
LogD (pH = 7.4) 1.5533998  Log P 2.7224786 
Molar Refractivity 102.5021 cm3 Polarizability 36.277683 Å3
Polar Surface Area 35.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.43  LOG S -2.49 
Polar Surface Area 35.16 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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