(S)-1-(5-Phenyl-1H-imidazol-2-yl)ethanamine

C₁₁H₁₃N₃CAS 864825-23-0187.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₃N₃
Molar mass: 187.25 g/mol
Exact mass: 187.1109 Da
logP: 2.10Crippen estimate
Polar surface area: 54.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

864825-23-0

SMILES

C[C@@H](C1=NC=C(N1)C2=CC=CC=C2)N

InChIKey

XQFMQMXJXWTGON-QMMMGPOBSA-N

InChI

InChI=1S/C11H13N3/c1-8(12)11-13-7-10(14-11)9-5-3-2-4-6-9/h2-8H,12H2,1H3,(H,13,14)/t8-/m0/s1

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Names and synonyms

1 names

(1S)-1-(5-Phenyl-1H-imidazol-2-yl)ethan-1-amine

Work with (S)-1-(5-Phenyl-1H-imidazol-2-yl)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

2,4-Diphenylimidazole670-83-750 % similar (S)-1-Phenylethylamine2627-86-341 % similar (+)-Phenylethylamine3886-69-941 % similar 1-Phenylethylamine618-36-041 % similar 1-Phenylethylamine98-84-041 % similar 1-Pyridin-2-yl-ethylamine42088-91-539 % similar (S)-1-Pyridin-2-yl-ethylamine45695-03-239 % similar 2-Phenyl-4-methylimidazole827-43-036 % similar

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

Same formula

1-(2-Cyanophenyl)piperazine111373-03-6 4-(1-Piperazinyl)benzonitrile68104-63-2

Elsewhere

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