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89334-54-3 | Thiourea, N-[3-(1H-benzimidazol-2-yl)propyl]-N'-phenyl-
CAS No: 89334-54-3 Catalog No: AG0086RX MDL No:
Product Description
Catalog Number:
AG0086RX
Chemical Name:
Thiourea, N-[3-(1H-benzimidazol-2-yl)propyl]-N'-phenyl-
CAS Number:
89334-54-3
Molecular Formula:
C17H18N4S
Molecular Weight:
310.4166
IUPAC Name:
1-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylthiourea
InChI:
InChI=1S/C17H18N4S/c22-17(19-13-7-2-1-3-8-13)18-12-6-11-16-20-14-9-4-5-10-15(14)21-16/h1-5,7-10H,6,11-12H2,(H,20,21)(H2,18,19,22)
InChI Key:
KFEVYALHBZZODZ-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)NCCCc1nc2c([nH]1)cccc2
Properties
Complexity:
357
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:
5
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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