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Home > Imidazoles > 103827-12-9
103827-12-9 | Pentanediamide, N-[2-(1H-imidazol-4-yl)ethyl]-N'-(4-methylphenyl)-
CAS No: 103827-12-9 Catalog No: AG0085EI MDL No:
Product Description
Catalog Number:
AG0085EI
Chemical Name:
Pentanediamide, N-[2-(1H-imidazol-4-yl)ethyl]-N'-(4-methylphenyl)-
CAS Number:
103827-12-9
Molecular Formula:
C17H22N4O2
Molecular Weight:
314.3822
IUPAC Name:
N-[2-(1H-imidazol-5-yl)ethyl]-N'-(4-methylphenyl)pentanediamide
InChI:
InChI=1S/C17H22N4O2/c1-13-5-7-14(8-6-13)21-17(23)4-2-3-16(22)19-10-9-15-11-18-12-20-15/h5-8,11-12H,2-4,9-10H2,1H3,(H,18,20)(H,19,22)(H,21,23)
InChI Key:
BRUVXRVRSSLLEL-UHFFFAOYSA-N
SMILES:
O=C(NCCc1c[nH]cn1)CCCC(=O)Nc1ccc(cc1)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
314.389g/mol
Monoisotopic Mass:
314.174g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Congener derivatives and conjugates of histamine: synthesis and tissue and receptor selectivity of the derivatives. | Journal of medicinal chemistry 19871101 |
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