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Home > Imidazoles > 37905-93-4
37905-93-4 | methyl 5-(1H-benzimidazol-2-yl)pentanoate
CAS No: 37905-93-4 Catalog No: AG00JH5M MDL No:MFCD08583057
Product Description
Catalog Number:
AG00JH5M
Chemical Name:
methyl 5-(1H-benzimidazol-2-yl)pentanoate
CAS Number:
37905-93-4
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD08583057
IUPAC Name:
methyl 5-(1H-benzimidazol-2-yl)pentanoate
InChI:
InChI=1S/C13H16N2O2/c1-17-13(16)9-5-4-8-12-14-10-6-2-3-7-11(10)15-12/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)
InChI Key:
CFASXJUJLWYMFX-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCc1nc2c([nH]1)cccc2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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