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Home > Imidazoles > 510712-03-5
510712-03-5 | 4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid
CAS No: 510712-03-5 Catalog No: AG01EW9P MDL No:
Product Description
Catalog Number:
AG01EW9P
Chemical Name:
4-(2-Imidazol-1-yl-phenylcarbamoyl)-butyric acid
CAS Number:
510712-03-5
Molecular Formula:
C14H15N3O3
Molecular Weight:
273.2872
IUPAC Name:
5-(2-imidazol-1-ylanilino)-5-oxopentanoic acid
InChI:
InChI=1S/C14H15N3O3/c18-13(6-3-7-14(19)20)16-11-4-1-2-5-12(11)17-9-8-15-10-17/h1-2,4-5,8-10H,3,6-7H2,(H,16,18)(H,19,20)
InChI Key:
BUFNGFYVTYTZLB-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1n1cncc1)CCCC(=O)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.292g/mol
Monoisotopic Mass:
273.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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 |
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