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Home > Imidazoles > 1087792-61-7
1087792-61-7 | N-[2-(2-methylphenyl)ethyl]-1H-imidazole-1-carboxamide
CAS No: 1087792-61-7 Catalog No: AG019N5W MDL No:MFCD11505450
Product Description
Catalog Number:
AG019N5W
Chemical Name:
N-[2-(2-methylphenyl)ethyl]-1H-imidazole-1-carboxamide
CAS Number:
1087792-61-7
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
MDL Number:
MFCD11505450
IUPAC Name:
N-[2-(2-methylphenyl)ethyl]imidazole-1-carboxamide
InChI:
InChI=1S/C13H15N3O/c1-11-4-2-3-5-12(11)6-7-15-13(17)16-9-8-14-10-16/h2-5,8-10H,6-7H2,1H3,(H,15,17)
InChI Key:
IBYXJGCNZAUOCC-UHFFFAOYSA-N
SMILES:
Cc1ccccc1CCNC(=O)n1cncc1
Properties
Complexity:
257
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:
1
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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