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89334-57-6 | Thiourea, N-[1-(1H-benzimidazol-2-yl)ethyl]-N'-phenyl-
CAS No: 89334-57-6 Catalog No: AG003YDT MDL No:
Product Description
Catalog Number:
AG003YDT
Chemical Name:
Thiourea, N-[1-(1H-benzimidazol-2-yl)ethyl]-N'-phenyl-
CAS Number:
89334-57-6
Molecular Formula:
C16H16N4S
Molecular Weight:
296.3900
IUPAC Name:
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylthiourea
InChI:
InChI=1S/C16H16N4S/c1-11(15-19-13-9-5-6-10-14(13)20-15)17-16(21)18-12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20)(H2,17,18,21)
InChI Key:
CDQMRJIIRGBOOI-UHFFFAOYSA-N
SMILES:
S=C(NC(c1nc2c([nH]1)cccc2)C)Nc1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.392g/mol
Monoisotopic Mass:
296.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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