2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Thuốc Gốc
Small Molecule
CTHH: C20H16N4O
PTK: 328.3672
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
328.3672
Monoisotopic mass
328.132411154
InChI
InChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24)
InChI Key
InChIKey=LMGQGPVCSYOMNS-UHFFFAOYSA-N
IUPAC Name
2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazole-5-carboximidamide
Traditional IUPAC Name
2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazole-5-carboximidamide
SMILES
NC(=N)C1=CC2=C(NC(=N2)C2=CC=CC(C3=CC=CC=C3)=C2O)C=C1
Độ hòa tan
5.99e-03 g/l
logP
3.16
logS
-4.7
pKa (strongest acidic)
8.85
pKa (Strongest Basic)
10.61
PSA
98.78 Å2
Refractivity
118.86 m3·mol-1
Polarizability
36.64 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
1
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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