Home Carboxys 1-(1H-Benzimidazol-2-ylmethyl)cyclopentanecarboxylic acid

1-(1H-Benzimidazol-2-ylmethyl)cyclopentanecarboxylic acid

CAS No.:
852399-56-5
Catalog Number:
AG00IDLN
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
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Product Description
Catalog Number:
AG00IDLN
Chemical Name:
1-(1H-Benzimidazol-2-ylmethyl)cyclopentanecarboxylic acid
CAS Number:
852399-56-5
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
MDL Number:
MFCD06655500
IUPAC Name:
1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C14H16N2O2/c17-13(18)14(7-3-4-8-14)9-12-15-10-5-1-2-6-11(10)16-12/h1-2,5-6H,3-4,7-9H2,(H,15,16)(H,17,18)
InChI Key:
TWOKXLOYDCTMAJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCC1)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties