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Home > Imidazoles > 4915-82-6
4915-82-6 | 2-benzyl-1H-imidazol-4(5H)-one
CAS No: 4915-82-6 Catalog No: AG01BTH6 MDL No:MFCD20665879
Product Description
Catalog Number:
AG01BTH6
Chemical Name:
2-benzyl-1H-imidazol-4(5H)-one
CAS Number:
4915-82-6
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD20665879
IUPAC Name:
2-benzyl-1,4-dihydroimidazol-5-one
InChI:
InChI=1S/C10H10N2O/c13-10-7-11-9(12-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12,13)
InChI Key:
VCXFFJBFAQMZHY-UHFFFAOYSA-N
SMILES:
O=C1CNC(=N1)Cc1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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