N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide
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![N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/df7050f230f041aab0ce0a52c10068e5.png "N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide")
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide
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CAS No:
509093-47-4
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Formula:
C20H21N5O4
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Chemical Name:
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide
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Synonyms:
IRAK-1/4 Inhibitor; IRAK-1/4 Inhibitor I; Benzamide,N-[1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl]-3-nitro; Interleukin-1 Receptor-Associated-Kinase-1/4 Inhibitor; N-(2-Morpholinylethyl)-2-(3-nitrobenzoylamido)-benzimidazole;
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CAS No:
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide Basic Attributes
395.41200
395.15935417
DTXSID50475143
Safety Information
UN 2811 6.1/PG 3
R25; R36/37/38
S26; S36/37; S45
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:395.4
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:395.15935417
Monoisotopic Mass:395.15935417
Topological Polar Surface Area:105
Heavy Atom Count:29
Complexity:580
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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