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2-(3-chlorophenyl)-1-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-2-hydroxyethan-1-one

ChemBase ID: 470164
Molecular Formular: C20H24ClN3O2
Molecular Mass: 373.87646
Monoisotopic Mass: 373.1557047
SMILES and InChIs

SMILES:
n1(c(ncc1)C1CCN(C(=O)C(c2cc(Cl)ccc2)O)CC1)CC1CC1
Canonical SMILES:
Clc1cccc(c1)C(C(=O)N1CCC(CC1)c1nccn1CC1CC1)O
InChI:
InChI=1S/C20H24ClN3O2/c21-17-3-1-2-16(12-17)18(25)20(26)23-9-6-15(7-10-23)19-22-8-11-24(19)13-14-4-5-14/h1-3,8,11-12,14-15,18,25H,4-7,9-10,13H2
InChIKey:
COJLZLXYDBWWGK-UHFFFAOYSA-N

Cite this record

CBID:470164 http://www.chembase.cn/molecule-470164.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-chlorophenyl)-1-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-2-hydroxyethan-1-one
IUPAC Traditional name
2-(3-chlorophenyl)-1-{4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl}-2-hydroxyethanone
Synonyms
1-(3-chlorophenyl)-2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-2-oxoethanol

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 12.368555  H Acceptors
H Donor LogD (pH = 5.5) 1.738488 
LogD (pH = 7.4) 2.388318  Log P 2.4188402 
Molar Refractivity 101.1546 cm3 Polarizability 39.155987 Å3
Polar Surface Area 58.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.46  LOG S -4.03 
Polar Surface Area 58.36 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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