-
1-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]-2-(oxolan-3-yl)-1H-imidazole
-
ChemBase ID:
420279
-
Molecular Formular:
C18H23N3O2
-
Molecular Mass:
313.39412
-
Monoisotopic Mass:
313.17902699
-
SMILES and InChIs
SMILES:
n1(c(ncc1)C1COCC1)c1cc(c(N2CCCC2)cc1)OC
Canonical SMILES:
COc1cc(ccc1N1CCCC1)n1ccnc1C1COCC1
InChI:
InChI=1S/C18H23N3O2/c1-22-17-12-15(4-5-16(17)20-8-2-3-9-20)21-10-7-19-18(21)14-6-11-23-13-14/h4-5,7,10,12,14H,2-3,6,8-9,11,13H2,1H3
InChIKey:
QHLRHLJJDGZSOH-UHFFFAOYSA-N
-
Cite this record
CBID:420279 http://www.chembase.cn/molecule-420279.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]-2-(oxolan-3-yl)-1H-imidazole
|
|
|
IUPAC Traditional name
|
1-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]-2-(oxolan-3-yl)imidazole
|
|
|
Synonyms
|
1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-(tetrahydrofuran-3-yl)-1H-imidazole
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
|
4
|
H Donor
|
0
|
LogD (pH = 5.5)
|
1.4078054
|
LogD (pH = 7.4)
|
2.3015246
|
Log P
|
2.3479898
|
Molar Refractivity
|
100.8756 cm3
|
Polarizability
|
34.9533 Å3
|
Polar Surface Area
|
39.52 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
3
|
H Donor
|
0
|
Log P
|
2.22
|
LOG S
|
-3.38
|
Polar Surface Area
|
39.52 Å2
|
Rotatable Bonds
|
4
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent