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N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-4-methyl-N-(oxolan-2-ylmethyl)-1H-imidazole-2-carboxamide

ChemBase ID: 370750
Molecular Formular: C19H32N4O3
Molecular Mass: 364.48238
Monoisotopic Mass: 364.2474409
SMILES and InChIs

SMILES:
c1(nc(c[nH]1)C)C(=O)N(CC1OCCC1)CC1CCN(CC1)CCOC
Canonical SMILES:
COCCN1CCC(CC1)CN(C(=O)c1[nH]cc(n1)C)CC1CCCO1
InChI:
InChI=1S/C19H32N4O3/c1-15-12-20-18(21-15)19(24)23(14-17-4-3-10-26-17)13-16-5-7-22(8-6-16)9-11-25-2/h12,16-17H,3-11,13-14H2,1-2H3,(H,20,21)
InChIKey:
JGUAPFLUPQWUIL-UHFFFAOYSA-N

Cite this record

CBID:370750 http://www.chembase.cn/molecule-370750.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-4-methyl-N-(oxolan-2-ylmethyl)-1H-imidazole-2-carboxamide
IUPAC Traditional name
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-4-methyl-N-(oxolan-2-ylmethyl)-1H-imidazole-2-carboxamide
Synonyms
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-4-methyl-N-(tetrahydrofuran-2-ylmethyl)-1H-imidazole-2-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.240796  H Acceptors
H Donor LogD (pH = 5.5) -2.58686 
LogD (pH = 7.4) -0.92042524  Log P 0.5207037 
Molar Refractivity 101.5206 cm3 Polarizability 39.009205 Å3
Polar Surface Area 70.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.4  LOG S -2.2 
Polar Surface Area 70.69 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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