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Home > Imidazoles > 52237-16-8
52237-16-8 | 5H,6H,7H-pyrrolo[1,2-c]imidazole
CAS No: 52237-16-8 Catalog No: AG01B74I MDL No:MFCD19690617
Product Description
Catalog Number:
AG01B74I
Chemical Name:
5H,6H,7H-pyrrolo[1,2-c]imidazole
CAS Number:
52237-16-8
Molecular Formula:
C6H8N2
Molecular Weight:
108.1411
MDL Number:
MFCD19690617
IUPAC Name:
6,7-dihydro-5H-pyrrolo[1,2-c]imidazole
InChI:
InChI=1S/C6H8N2/c1-2-6-4-7-5-8(6)3-1/h4-5H,1-3H2
InChI Key:
INRNDPUMEATXKG-UHFFFAOYSA-N
SMILES:
C1Cn2c(C1)cnc2
Properties
Complexity:
92.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.069g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.144g/mol
Monoisotopic Mass:
108.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Discovery of orteronel (TAK-700), a naphthylmethylimidazole derivative, as a highly selective 17,20-lyase inhibitor with potential utility in the treatment of prostate cancer. | Bioorganic & medicinal chemistry 20111101 |
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