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Home > Imidazoles > 133052-85-4
133052-85-4 | Benzoic acid, 4-[(2-butyl-1H-benzimidazol-1-yl)methyl]-
CAS No: 133052-85-4 Catalog No: AG0011LD MDL No:
Product Description
Catalog Number:
AG0011LD
Chemical Name:
Benzoic acid, 4-[(2-butyl-1H-benzimidazol-1-yl)methyl]-
CAS Number:
133052-85-4
Molecular Formula:
C19H20N2O2
Molecular Weight:
308.3743
IUPAC Name:
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C19H20N2O2/c1-2-3-8-18-20-16-6-4-5-7-17(16)21(18)13-14-9-11-15(12-10-14)19(22)23/h4-7,9-12H,2-3,8,13H2,1H3,(H,22,23)
InChI Key:
AYUAYHAZNQPDLH-UHFFFAOYSA-N
SMILES:
CCCCc1nc2c(n1Cc1ccc(cc1)C(=O)O)cccc2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.381g/mol
Monoisotopic Mass:
308.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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