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88933-81-7 | 1H-Imidazole-4-carboxamide, 5-methyl-N-(2-phenylethyl)-
CAS No: 88933-81-7 Catalog No: AG00480G MDL No:
Product Description
Catalog Number:
AG00480G
Chemical Name:
1H-Imidazole-4-carboxamide, 5-methyl-N-(2-phenylethyl)-
CAS Number:
88933-81-7
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
5-methyl-N-(2-phenylethyl)-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C13H15N3O/c1-10-12(16-9-15-10)13(17)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,17)(H,15,16)
InChI Key:
TYMNNPOBNORYLZ-UHFFFAOYSA-N
SMILES:
O=C(c1nc[nH]c1C)NCCc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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