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867335-69-1 | 1H-Imidazole, 4-[(5-chloro-2,3-dihydro-1H-inden-1-ylidene)methyl]-
CAS No: 867335-69-1 Catalog No: AG004SKF MDL No:
Product Description
Catalog Number:
AG004SKF
Chemical Name:
1H-Imidazole, 4-[(5-chloro-2,3-dihydro-1H-inden-1-ylidene)methyl]-
CAS Number:
867335-69-1
Molecular Formula:
C13H11ClN2
Molecular Weight:
230.6928
IUPAC Name:
5-[(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole
InChI:
InChI=1S/C13H11ClN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)
InChI Key:
FGJKKMYLQYGVLE-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)CCC2=Cc1c[nH]cn1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.695g/mol
Monoisotopic Mass:
230.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of imidazolylmethylenetetrahydronaphthalenes and imidazolylmethyleneindanes: potent inhibitors of aldosterone synthase. | Journal of medicinal chemistry 20050324 |
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