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Home > Imidazoles > 170499-20-4
170499-20-4 | Benzoic acid, 4-[(2-methyl-1H-benzimidazol-1-yl)methyl]-
CAS No: 170499-20-4 Catalog No: AG00HZE9 MDL No:MFCD06444797
Product Description
Catalog Number:
AG00HZE9
Chemical Name:
Benzoic acid, 4-[(2-methyl-1H-benzimidazol-1-yl)methyl]-
CAS Number:
170499-20-4
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
MDL Number:
MFCD06444797
IUPAC Name:
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid;hydrochloride
InChI:
InChI=1S/C16H14N2O2.ClH/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(9-7-12)16(19)20;/h2-9H,10H2,1H3,(H,19,20);1H
InChI Key:
MTSVVGYWJBKATJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Cn1c(C)nc2c1cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.758g/mol
Monoisotopic Mass:
302.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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