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Home > Imidazoles > 88933-85-1
88933-85-1 | 1H-Imidazole-4-carboxamide, N-[(4-chlorophenyl)methyl]-5-methyl-
CAS No: 88933-85-1 Catalog No: AG0048EV MDL No:
Product Description
Catalog Number:
AG0048EV
Chemical Name:
1H-Imidazole-4-carboxamide, N-[(4-chlorophenyl)methyl]-5-methyl-
CAS Number:
88933-85-1
Molecular Formula:
C12H12ClN3O
Molecular Weight:
249.6962
IUPAC Name:
N-[(4-chlorophenyl)methyl]-5-methyl-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C12H12ClN3O/c1-8-11(16-7-15-8)12(17)14-6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,17)(H,15,16)
InChI Key:
SCPMEKUZNONGHR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CNC(=O)c1nc[nH]c1C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.698g/mol
Monoisotopic Mass:
249.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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