2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide

C11H16BrN3 — CID 53319578

IUPAC2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide
SMILESBr.NCC[C@H]1CN=C(c2ccccc2)N1
InChIInChI=1S/C11H15N3.BrH/c12-7-6-10-8-13-11(14-10)9-4-2-1-3-5-9;/h1-5,10H,6-8,12H2,(H,13,14);1H/t10-;/m0./s1
InChIKeyOOCLKYZIPAKBRC-PPHPATTJSA-N
MW270.17 g/mol
LogP1.33
Rot. Bonds3

About 2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide

2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide (PubChem CID 53319578) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide.

Molecular Properties

Compound Name2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide
PubChem CID53319578
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide
SMILESBr.NCC[C@H]1CN=C(c2ccccc2)N1
InChIInChI=1S/C11H15N3.BrH/c12-7-6-10-8-13-11(14-10)9-4-2-1-3-5-9;/h1-5,10H,6-8,12H2,(H,13,14);1H/t10-;/m0./s1
InChIKeyOOCLKYZIPAKBRC-PPHPATTJSA-N
XLogP1.33
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide?
The IUPAC name of 2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide (CID 53319578) is 2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide.
What is the SMILES notation for 2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide?
The canonical SMILES for 2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide is Br.NCC[C@H]1CN=C(c2ccccc2)N1.
What is the InChIKey of 2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide?
The InChIKey is OOCLKYZIPAKBRC-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15N3.BrH/c12-7-6-10-8-13-11(14-10)9-4-2-1-3-5-9;/h1-5,10H,6-8,12H2,(H,13,14);1H/t10-;/m0./s1.
What are the key properties of 2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide?
2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide has a molecular weight of 270.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide is sourced from PubChem (CID 53319578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).