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84494-47-3 | N-(4-(1H-BENZO[D]IMIDAZOL-2-YLMETHOXY)PHENYL)-N'-(1,1'-BIPHENYLYL)THIOUREA
CAS No: 84494-47-3 Catalog No: AG008HWQ MDL No:
Product Description
Catalog Number:
AG008HWQ
Chemical Name:
N-(4-(1H-BENZO[D]IMIDAZOL-2-YLMETHOXY)PHENYL)-N'-(1,1'-BIPHENYLYL)THIOUREA
CAS Number:
84494-47-3
Molecular Formula:
C27H22N4OS
Molecular Weight:
450.5548
IUPAC Name:
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(2-phenylphenyl)thiourea
InChI:
InChI=1S/C27H22N4OS/c33-27(31-23-11-5-4-10-22(23)19-8-2-1-3-9-19)28-20-14-16-21(17-15-20)32-18-26-29-24-12-6-7-13-25(24)30-26/h1-17H,18H2,(H,29,30)(H2,28,31,33)
InChI Key:
DLHIAHVRAZOOEJ-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1c1ccccc1)Nc1ccc(cc1)OCc1nc2c([nH]1)cccc2
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.151g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
450.56g/mol
Monoisotopic Mass:
450.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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