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Home > Imidazoles > 68008-13-9
68008-13-9 | 3-[2-(1H-imidazol-1-yl)phenyl]-1-phenylurea
CAS No: 68008-13-9 Catalog No: AG00IZWZ MDL No:MFCD05670509
Product Description
Catalog Number:
AG00IZWZ
Chemical Name:
3-[2-(1H-imidazol-1-yl)phenyl]-1-phenylurea
CAS Number:
68008-13-9
Molecular Formula:
C16H14N4O
Molecular Weight:
278.3086
MDL Number:
MFCD05670509
IUPAC Name:
1-(2-imidazol-1-ylphenyl)-3-phenylurea
InChI:
InChI=1S/C16H14N4O/c21-16(18-13-6-2-1-3-7-13)19-14-8-4-5-9-15(14)20-11-10-17-12-20/h1-12H,(H2,18,19,21)
InChI Key:
PEAJMWRJVVMYPG-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1n1ccnc1)Nc1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.315g/mol
Monoisotopic Mass:
278.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| 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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