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1-methyl-2-{3-[1-(pyrrolidin-1-yl)ethyl]phenyl}-1H-imidazole

ChemBase ID: 470771
Molecular Formular: C16H21N3
Molecular Mass: 255.35804
Monoisotopic Mass: 255.17354769
SMILES and InChIs

SMILES:
c1(n(ccn1)C)c1cc(C(N2CCCC2)C)ccc1
Canonical SMILES:
CC(c1cccc(c1)c1nccn1C)N1CCCC1
InChI:
InChI=1S/C16H21N3/c1-13(19-9-3-4-10-19)14-6-5-7-15(12-14)16-17-8-11-18(16)2/h5-8,11-13H,3-4,9-10H2,1-2H3
InChIKey:
OHUWFGIMADEFNL-UHFFFAOYSA-N

Cite this record

CBID:470771 http://www.chembase.cn/molecule-470771.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-2-{3-[1-(pyrrolidin-1-yl)ethyl]phenyl}-1H-imidazole
IUPAC Traditional name
1-methyl-2-{3-[1-(pyrrolidin-1-yl)ethyl]phenyl}imidazole
Synonyms
1-methyl-2-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-imidazole

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -1.0353695  LogD (pH = 7.4) 0.76542413 
Log P 2.8669913  Molar Refractivity 89.5136 cm3
Polarizability 31.061749 Å3 Polar Surface Area 21.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.82  LOG S -1.61 
Polar Surface Area 21.06 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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