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5805-60-7 | N-(1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDE
CAS No: 5805-60-7 Catalog No: AG00EZUG MDL No:MFCD00182097
Product Description
Catalog Number:
AG00EZUG
Chemical Name:
N-(1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDE
CAS Number:
5805-60-7
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
MDL Number:
MFCD00182097
IUPAC Name:
N-(1H-benzimidazol-2-ylmethyl)benzamide
InChI:
InChI=1S/C15H13N3O/c19-15(11-6-2-1-3-7-11)16-10-14-17-12-8-4-5-9-13(12)18-14/h1-9H,10H2,(H,16,19)(H,17,18)
InChI Key:
DLPWNQUPBLICPH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NCc1nc2c([nH]1)cccc2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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