N,N-Diethyl-2-[[4-(1-methylethoxy)phenyl]methyl]-5-nitro-1H-benzimidazole-1-ethanamine

C₂₃H₃₀N₄O₃CAS 14188-81-9410.52 g/mol

Open in Covalent MOL file

Ether Nitro Tertiary amine

Properties

Molecular formula: C₂₃H₃₀N₄O₃
Molar mass: 410.52 g/mol
Exact mass: 410.2318 Da
logP: 4.66Crippen estimate
Polar surface area: 73.4 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 10

Identifiers

CAS number

14188-81-9

SMILES

CCN(CC)CCn1c(Cc2ccc(OC(C)C)cc2)nc2cc([N+](=O)[O-])ccc21

InChIKey

OIOQREYBGDAYGT-UHFFFAOYSA-N

InChI

InChI=1S/C23H30N4O3/c1-5-25(6-2)13-14-26-22-12-9-19(27(28)29)16-21(22)24-23(26)15-18-7-10-20(11-8-18)30-17(3)4/h7-12,16-17H,5-6,13-15H2,1-4H3

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Names and synonyms

3 names

1H-Benzimidazole-1-ethanamine, N,N-diethyl-2-[[4-(1-methylethoxy)phenyl]methyl]-5-nitro-
Benzimidazole, 1-[2-(diethylamino)ethyl]-2-(p-isopropoxybenzyl)-5-nitro-
Isotonitazene

Work with N,N-Diethyl-2-[[4-(1-methylethoxy)phenyl]methyl]-5-nitro-1H-benzimidazole-1-ethanamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Protonitazene hydrochloride119276-01-673 % similar 9-Ethyl-3-nitro-9H-carbazole86-20-434 % similar Pracinostat929016-96-633 % similar N-Methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]benzeneethanamine115287-37-132 % similar 4-(4-Nitrobenzyl)pyridine1083-48-330 % similar 1-(Difluoromethoxy)-4-nitrobenzene1544-86-130 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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