chempirical

1H-Imidazole, 5,5′-[1,1′-biphenyl]-4,4′-diylbis[2-(2S)-2-pyrrolidinyl-, hydrochloride (1:4)

C26H32Cl4N6CAS 1009119-83-8570.38 g/mol

Open in Covalent MOL file
HClHClHClHClNHNHNNNHNH
Secondary amine

Properties

Molecular formula
C26H32Cl4N6
Molar mass
570.38 g/mol
Exact mass
568.1443 Da
logP
6.67Crippen estimate
Polar surface area
81.4 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
1009119-83-8
SMILES
Cl.Cl.Cl.Cl.c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1
InChIKey
AYOXSBJGFNPGNK-VDUNKYASSA-N
InChI
InChI=1S/C26H28N6.4ClH/c1-3-21(27-13-1)25-29-15-23(31-25)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-30-26(32-24)22-4-2-14-28-22;;;;/h5-12,15-16,21-22,27-28H,1-4,13-14H2,(H,29,31)(H,30,32);4*1H/t21-,22-;;;;/m0..../s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1H-Imidazole, 5,5′-[1,1′-biphenyl]-4,4′-diylbis[2-(2S)-2-pyrrolidinyl-, hydrochloride (1:4)

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

2-(2-Pyrrolidinyl)pyridine77790-61-538 % similar 4-(Pyrrolidin-2-yl)pyridine128562-25-437 % similar (±)-Nornicotine5746-86-137 % similar (R)-2-(2,5-Difluorophenyl)pyrrolidine hydrochloride1218935-60-436 % similar 2-Phenylpyrrolidine1006-64-036 % similar 2-(3-Furanyl)pyrrolidine383127-25-136 % similar Daclatasvir dihydrochloride1009119-65-635 % similar (±)-Anabasine13078-04-133 % similar

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

Elsewhere

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