[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
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![[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/82a46cadda3340dcb63df730993a6db3.png "[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone")
[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
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CAS No:
180633-55-0
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Formula:
C20H13BrN4O
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Chemical Name:
[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
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Synonyms:
bromodeoxytopsentin;Bromodeoxytopsentin;[4-(6-bromo-1h-indol-3-yl)-1h-imidazol-2-yl](1h-indol-3-yl)methanone;NSC712184;CHEMBL198814;SCHEMBL17537615;CHEBI:144087;BDBM50210344;[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone;NSC-712184;NCI60_039303;[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl](1H-indol-3-yl)methanone;180633-55-0
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CAS No:
Description
Bromodeoxytopsentin is an aromatic ketone that is imidazole which is substituted by a 1H-indole-3-carbonyl group and a 6-bromo-1H-indol-3-yl group at positions 2 and 4, respectively. Isolated from the Mediterranean shallow-water sponge, Topsentia genetrix. It is a potent inhibitor of MRSA pyruvate kinase and exhibits antibacterial properties. It has a role as an antibacterial agent, a marine metabolite and an EC 2.7.1.40 (pyruvate kinase) inhibitor. It is a member of imidazoles, a bromoindole, an aromatic ketone and an indole alkaloid.
[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone Basic Attributes
405.2 g/mol
404.02727 g/mol
712184
Computed Properties
Molecular Weight:405.2
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:404.02727
Monoisotopic Mass:404.02727
Topological Polar Surface Area:77.3
Heavy Atom Count:26
Complexity:546
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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