Home Other Building Blocks 1-[1-(DIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]ETHANOL

1-[1-(DIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]ETHANOL

CAS No.:
851879-26-0
Catalog Number:
AG00G3UT
Molecular Formula:
C10H10F2N2O
Molecular Weight:
212.1960
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Product Description
Catalog Number:
AG00G3UT
Chemical Name:
1-[1-(DIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]ETHANOL
CAS Number:
851879-26-0
Molecular Formula:
C10H10F2N2O
Molecular Weight:
212.1960
MDL Number:
MFCD06660529
IUPAC Name:
1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol
InChI:
InChI=1S/C10H10F2N2O/c1-6(15)9-13-7-4-2-3-5-8(7)14(9)10(11)12/h2-6,10,15H,1H3
InChI Key:
UOOOFUIKYLLQLE-UHFFFAOYSA-N
SMILES:
CC(c1nc2c(n1C(F)F)cccc2)O
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.076g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.2g/mol
Monoisotopic Mass:
212.076g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties