4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE
Thuốc Gốc
Small Molecule
CTHH: C18H16FN3
PTK: 293.3381
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
293.3381
Monoisotopic mass
293.132825732
InChI
InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2
InChI Key
InChIKey=ROKOFZNQCIIJMI-UHFFFAOYSA-N
IUPAC Name
4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
Traditional IUPAC Name
4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
SMILES
FC1=CC=C(C=C1)C1=C(N(CC2CC2)C=N1)C1=CC=NC=C1
Độ hòa tan
7.43e-03 g/l
logP
3.38
logS
-4.6
pKa (Strongest Basic)
5.5
PSA
30.71 Å2
Refractivity
83.69 m3·mol-1
Polarizability
30.69 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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