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89334-55-4 | Thiourea, N-[3-(1H-benzimidazol-2-yl)propyl]-N'-(4-methylphenyl)-
CAS No: 89334-55-4 Catalog No: AG003ZES MDL No:
Product Description
Catalog Number:
AG003ZES
Chemical Name:
Thiourea, N-[3-(1H-benzimidazol-2-yl)propyl]-N'-(4-methylphenyl)-
CAS Number:
89334-55-4
Molecular Formula:
C18H20N4S
Molecular Weight:
324.4432
IUPAC Name:
1-[3-(1H-benzimidazol-2-yl)propyl]-3-(4-methylphenyl)thiourea
InChI:
InChI=1S/C18H20N4S/c1-13-8-10-14(11-9-13)20-18(23)19-12-4-7-17-21-15-5-2-3-6-16(15)22-17/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,21,22)(H2,19,20,23)
InChI Key:
NQLUFKGBEIPHBF-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)C)NCCCc1nc2c([nH]1)cccc2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.141g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
324.446g/mol
Monoisotopic Mass:
324.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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