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1049873-53-1 | N-[(4-cyclopropaneamidophenyl)methyl]-1H-imidazole-1-carboxamide
CAS No: 1049873-53-1 Catalog No: AG019MD8 MDL No:MFCD10686774
Product Description
Catalog Number:
AG019MD8
Chemical Name:
N-[(4-cyclopropaneamidophenyl)methyl]-1H-imidazole-1-carboxamide
CAS Number:
1049873-53-1
Molecular Formula:
C15H16N4O2
Molecular Weight:
284.3131
MDL Number:
MFCD10686774
IUPAC Name:
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]imidazole-1-carboxamide
InChI:
InChI=1S/C15H16N4O2/c20-14(12-3-4-12)18-13-5-1-11(2-6-13)9-17-15(21)19-8-7-16-10-19/h1-2,5-8,10,12H,3-4,9H2,(H,17,21)(H,18,20)
InChI Key:
UBKDAXPSCPELDE-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)Nc1ccc(cc1)CNC(=O)n1cncc1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.319g/mol
Monoisotopic Mass:
284.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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