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Home > Imidazoles > 67218-92-2
67218-92-2 | 1H-Imidazole-4-carboxamide, 5-hydroxy-1-(phenylmethyl)-
CAS No: 67218-92-2 Catalog No: AG005Q3R MDL No:
Product Description
Catalog Number:
AG005Q3R
Chemical Name:
1H-Imidazole-4-carboxamide, 5-hydroxy-1-(phenylmethyl)-
CAS Number:
67218-92-2
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
1-benzyl-5-hydroxyimidazole-4-carboxamide
InChI:
InChI=1S/C11H11N3O2/c12-10(15)9-11(16)14(7-13-9)6-8-4-2-1-3-5-8/h1-5,7,16H,6H2,(H2,12,15)
InChI Key:
MSIMMDQAZOVHJH-UHFFFAOYSA-N
SMILES:
NC(=O)c1ncn(c1O)Cc1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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