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N-[(2-chloropyridin-3-yl)methyl]-N-methyl-2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanamide

ChemBase ID: 320567
Molecular Formular: C16H21ClN4O
Molecular Mass: 320.81714
Monoisotopic Mass: 320.14038899
SMILES and InChIs

SMILES:
n1(c(ncc1)C(C)C)C(C(=O)N(Cc1c(nccc1)Cl)C)C
Canonical SMILES:
O=C(C(n1ccnc1C(C)C)C)N(Cc1cccnc1Cl)C
InChI:
InChI=1S/C16H21ClN4O/c1-11(2)15-19-8-9-21(15)12(3)16(22)20(4)10-13-6-5-7-18-14(13)17/h5-9,11-12H,10H2,1-4H3
InChIKey:
NZHLRCDMFOBKAV-UHFFFAOYSA-N

Cite this record

CBID:320567 http://www.chembase.cn/molecule-320567.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2-chloropyridin-3-yl)methyl]-N-methyl-2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanamide
IUPAC Traditional name
N-[(2-chloropyridin-3-yl)methyl]-2-(2-isopropylimidazol-1-yl)-N-methylpropanamide
Synonyms
N-[(2-chloropyridin-3-yl)methyl]-2-(2-isopropyl-1H-imidazol-1-yl)-N-methylpropanamide

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) 1.5125211  LogD (pH = 7.4) 2.330608 
Log P 2.4632182  Molar Refractivity 88.0675 cm3
Polarizability 33.64174 Å3 Polar Surface Area 51.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.32  LOG S -2.67 
Polar Surface Area 51.02 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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