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89334-58-7 | Thiourea, N-[1-(1H-benzimidazol-2-yl)ethyl]-N'-(4-methylphenyl)-
CAS No: 89334-58-7 Catalog No: AG0086RW MDL No:
Product Description
Catalog Number:
AG0086RW
Chemical Name:
Thiourea, N-[1-(1H-benzimidazol-2-yl)ethyl]-N'-(4-methylphenyl)-
CAS Number:
89334-58-7
Molecular Formula:
C17H18N4S
Molecular Weight:
310.4166
IUPAC Name:
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)thiourea
InChI:
InChI=1S/C17H18N4S/c1-11-7-9-13(10-8-11)19-17(22)18-12(2)16-20-14-5-3-4-6-15(14)21-16/h3-10,12H,1-2H3,(H,20,21)(H2,18,19,22)
InChI Key:
HUUBUZKARGPPQV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=S)NC(c1nc2c([nH]1)cccc2)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.125g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.419g/mol
Monoisotopic Mass:
310.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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