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Home > Imidazoles > 146953-86-8
146953-86-8 | 1H-Imidazole, 5-butyl-
CAS No: 146953-86-8 Catalog No: AG001EHK MDL No:
Product Description
Catalog Number:
AG001EHK
Chemical Name:
1H-Imidazole, 5-butyl-
CAS Number:
146953-86-8
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
IUPAC Name:
5-butyl-1H-imidazole
InChI:
InChI=1S/C7H12N2/c1-2-3-4-7-5-8-6-9-7/h5-6H,2-4H2,1H3,(H,8,9)
InChI Key:
YOTBOYFKPMRBAG-UHFFFAOYSA-N
SMILES:
CCCCc1cnc[nH]1
Properties
Complexity:
73.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| The discovery of new potent non-peptide Angiotensin II AT1 receptor blockers: a concise synthesis, molecular docking studies and biological evaluation of N-substituted 5-butylimidazole derivatives. | European journal of medicinal chemistry 20120901 |
| 4-benzyl-1H-imidazoles with oxazoline termini as histamine H3 receptor agonists. | Journal of medicinal chemistry 20080522 |
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