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Home > Imidazoles > 67277-66-1
67277-66-1 | 1H-Imidazole, 2-[4-(1,1-dimethylethyl)phenyl]-4,5-dihydro-
CAS No: 67277-66-1 Catalog No: AG0062XL MDL No:
Product Description
Catalog Number:
AG0062XL
Chemical Name:
1H-Imidazole, 2-[4-(1,1-dimethylethyl)phenyl]-4,5-dihydro-
CAS Number:
67277-66-1
Molecular Formula:
C13H18N2
Molecular Weight:
202.2954
IUPAC Name:
2-(4-tert-butylphenyl)-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C13H18N2/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h4-7H,8-9H2,1-3H3,(H,14,15)
InChI Key:
JRUYKUSXUFPDNO-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C1=NCCN1)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.301g/mol
Monoisotopic Mass:
202.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| 2-(Anilino)imidazolines and 2-(benzyl)imidazoline derivatives as h5-HT1D serotonin receptor ligands. | Bioorganic & medicinal chemistry letters 20040920 |
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