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Home > Imidazoles > 950037-29-3
950037-29-3 | N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-imidazole-1-carboxamide
CAS No: 950037-29-3 Catalog No: AG019L1U MDL No:MFCD09802165
Product Description
Catalog Number:
AG019L1U
Chemical Name:
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-imidazole-1-carboxamide
CAS Number:
950037-29-3
Molecular Formula:
C14H17N3O3
Molecular Weight:
275.3031
MDL Number:
MFCD09802165
IUPAC Name:
N-[2-(3,4-dimethoxyphenyl)ethyl]imidazole-1-carboxamide
InChI:
InChI=1S/C14H17N3O3/c1-19-12-4-3-11(9-13(12)20-2)5-6-16-14(18)17-8-7-15-10-17/h3-4,7-10H,5-6H2,1-2H3,(H,16,18)
InChI Key:
ISXWUCCDWWMEDM-UHFFFAOYSA-N
SMILES:
COc1cc(CCNC(=O)n2cncc2)ccc1OC
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.308g/mol
Monoisotopic Mass:
275.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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