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Home > Imidazoles > 112030-58-7
112030-58-7 | 1H-Imidazole, 4,5-dihydro-2-[(4-nitrophenyl)methyl]-
CAS No: 112030-58-7 Catalog No: AG007UWN MDL No:
Product Description
Catalog Number:
AG007UWN
Chemical Name:
1H-Imidazole, 4,5-dihydro-2-[(4-nitrophenyl)methyl]-
CAS Number:
112030-58-7
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
IUPAC Name:
2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C10H11N3O2/c14-13(15)9-3-1-8(2-4-9)7-10-11-5-6-12-10/h1-4H,5-7H2,(H,11,12)
InChI Key:
YVRQVZDDBLLPEQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CC1=NCCN1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Benzylimidazolines as h5-HT1B/1D serotonin receptor ligands: a structure-affinity investigation. | Journal of medicinal chemistry 19980618 |
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