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2-(2-{5-[2,5-dimethyl-1-(propan-2-yl)-1H-pyrrol-3-yl]-4-phenyl-1H-imidazol-1-yl}ethyl)pyrazine

ChemBase ID: 323817
Molecular Formular: C24H27N5
Molecular Mass: 385.50468
Monoisotopic Mass: 385.22664589
SMILES and InChIs

SMILES:
c1(c(n(c(c1)C)C(C)C)C)c1c(ncn1CCc1nccnc1)c1ccccc1
Canonical SMILES:
CC(n1c(C)cc(c1C)c1n(cnc1c1ccccc1)CCc1cnccn1)C
InChI:
InChI=1S/C24H27N5/c1-17(2)29-18(3)14-22(19(29)4)24-23(20-8-6-5-7-9-20)27-16-28(24)13-10-21-15-25-11-12-26-21/h5-9,11-12,14-17H,10,13H2,1-4H3
InChIKey:
KEPXIVBMMKUYJK-UHFFFAOYSA-N

Cite this record

CBID:323817 http://www.chembase.cn/molecule-323817.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-{5-[2,5-dimethyl-1-(propan-2-yl)-1H-pyrrol-3-yl]-4-phenyl-1H-imidazol-1-yl}ethyl)pyrazine
IUPAC Traditional name
2-{2-[5-(1-isopropyl-2,5-dimethylpyrrol-3-yl)-4-phenylimidazol-1-yl]ethyl}pyrazine
Synonyms
2-{2-[5-(1-isopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}pyrazine

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)
H Acceptors H Donor
LogD (pH = 5.5) 3.5595007  LogD (pH = 7.4) 3.7589943 
Log P 3.7624328  Molar Refractivity 117.2857 cm3
Polarizability 47.150124 Å3 Polar Surface Area 48.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.93  LOG S -6.22 
Polar Surface Area 48.53 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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