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88100-24-7 | 1H-Imidazole-5-carboxamide, 4-methoxy-1-(phenylmethyl)-
CAS No: 88100-24-7 Catalog No: AG004G82 MDL No:
Product Description
Catalog Number:
AG004G82
Chemical Name:
1H-Imidazole-5-carboxamide, 4-methoxy-1-(phenylmethyl)-
CAS Number:
88100-24-7
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
3-benzyl-5-methoxyimidazole-4-carboxamide
InChI:
InChI=1S/C12H13N3O2/c1-17-12-10(11(13)16)15(8-14-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,13,16)
InChI Key:
LLCRBPBPMCRIFW-UHFFFAOYSA-N
SMILES:
COc1ncn(c1C(=O)N)Cc1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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