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Home > Imidazoles > 40950-46-7
40950-46-7 | 2,4-Imidazolidinedione, 5-(1H-imidazol-4-ylmethyl)-, (S)-
CAS No: 40950-46-7 Catalog No: AG0073RF MDL No:
Product Description
Catalog Number:
AG0073RF
Chemical Name:
2,4-Imidazolidinedione, 5-(1H-imidazol-4-ylmethyl)-, (S)-
CAS Number:
40950-46-7
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.1640
IUPAC Name:
(5S)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
InChI:
InChI=1S/C7H8N4O2/c12-6-5(10-7(13)11-6)1-4-2-8-3-9-4/h2-3,5H,1H2,(H,8,9)(H2,10,11,12,13)/t5-/m0/s1
InChI Key:
BLKGOXMBLUVZLQ-YFKPBYRVSA-N
SMILES:
C(c1c[nH]cn1)[C@@H]1NC(=O)NC1=O
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.167g/mol
Monoisotopic Mass:
180.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Diurnal fluctuation in histidine decarboxylase expression, the rate limiting enzyme for histamine production, and its disorder in neurodegenerative diseases. | Sleep 20120501 |
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