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66639-12-1 | 2-[2-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]BENZOTHIOPHEN-5-YL]-4,5-D IHYDRO-1H-IMIDAZOLE
CAS No: 66639-12-1 Catalog No: AG006JDP MDL No:
Product Description
Catalog Number:
AG006JDP
Chemical Name:
2-[2-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]BENZOTHIOPHEN-5-YL]-4,5-D IHYDRO-1H-IMIDAZOLE
CAS Number:
66639-12-1
Molecular Formula:
C20H18N4S
Molecular Weight:
346.4487
IUPAC Name:
2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C20H18N4S/c1-3-14(19-21-7-8-22-19)4-2-13(1)18-12-16-11-15(5-6-17(16)25-18)20-23-9-10-24-20/h1-6,11-12H,7-10H2,(H,21,22)(H,23,24)
InChI Key:
KRUVGWIDZHOIDK-UHFFFAOYSA-N
SMILES:
C1CN=C(N1)c1ccc(cc1)c1sc2c(c1)cc(cc2)C1=NCCN1
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.125g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.452g/mol
Monoisotopic Mass:
346.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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