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4-chloro-3-{2-[2-(furan-2-yl)pyrimidin-5-yl]-1H-imidazol-1-yl}-N-methylbenzamide

ChemBase ID: 321535
Molecular Formular: C19H14ClN5O2
Molecular Mass: 379.79976
Monoisotopic Mass: 379.08360239
SMILES and InChIs

SMILES:
n1(c(c2cnc(nc2)c2occc2)ncc1)c1cc(C(=O)NC)ccc1Cl
Canonical SMILES:
CNC(=O)c1ccc(c(c1)n1ccnc1c1cnc(nc1)c1ccco1)Cl
InChI:
InChI=1S/C19H14ClN5O2/c1-21-19(26)12-4-5-14(20)15(9-12)25-7-6-22-18(25)13-10-23-17(24-11-13)16-3-2-8-27-16/h2-11H,1H3,(H,21,26)
InChIKey:
BIGNPRSYGFPDPA-UHFFFAOYSA-N

Cite this record

CBID:321535 http://www.chembase.cn/molecule-321535.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-3-{2-[2-(furan-2-yl)pyrimidin-5-yl]-1H-imidazol-1-yl}-N-methylbenzamide
IUPAC Traditional name
4-chloro-3-{2-[2-(furan-2-yl)pyrimidin-5-yl]imidazol-1-yl}-N-methylbenzamide
Synonyms
4-chloro-3-{2-[2-(2-furyl)pyrimidin-5-yl]-1H-imidazol-1-yl}-N-methylbenzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.005633  H Acceptors
H Donor LogD (pH = 5.5) 2.5866683 
LogD (pH = 7.4) 2.8097599  Log P 2.8136852 
Molar Refractivity 132.3542 cm3 Polarizability 39.612804 Å3
Polar Surface Area 85.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.72  LOG S -4.29 
Polar Surface Area 85.84 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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