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Home > Imidazoles > 189367-96-2
189367-96-2 | Thiophene-3-ol, 2-(1H-benzimidazol-2-yl)-4,5-dihydro-5-phenyl-
CAS No: 189367-96-2 Catalog No: AG002DLB MDL No:
Product Description
Catalog Number:
AG002DLB
Chemical Name:
Thiophene-3-ol, 2-(1H-benzimidazol-2-yl)-4,5-dihydro-5-phenyl-
CAS Number:
189367-96-2
Molecular Formula:
C17H14N2OS
Molecular Weight:
294.3709
IUPAC Name:
5-(1H-benzimidazol-2-yl)-2-phenyl-2,3-dihydrothiophen-4-ol
InChI:
InChI=1S/C17H14N2OS/c20-14-10-15(11-6-2-1-3-7-11)21-16(14)17-18-12-8-4-5-9-13(12)19-17/h1-9,15,20H,10H2,(H,18,19)
InChI Key:
PUNXYMGLSWVKOR-UHFFFAOYSA-N
SMILES:
OC1=C(SC(C1)c1ccccc1)c1nc2c([nH]1)cccc2
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.372g/mol
Monoisotopic Mass:
294.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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