1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride

C19H23ClN2 — CID 173292599

IUPAC1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride
SMILESC[C@@H](c1ccccc1)N1C=CN([C@@H](C)c2ccccc2)C1.Cl
InChIInChI=1S/C19H22N2.ClH/c1-16(18-9-5-3-6-10-18)20-13-14-21(15-20)17(2)19-11-7-4-8-12-19;/h3-14,16-17H,15H2,1-2H3;1H/t16-,17-;/m0./s1
InChIKeyHUZKVSNKWHUMOW-QJHJCNPRSA-N
MW314.86 g/mol
LogP4.98
Rot. Bonds4

About 1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride

1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride (PubChem CID 173292599) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride.

Molecular Properties

Compound Name1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride
PubChem CID173292599
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride
SMILESC[C@@H](c1ccccc1)N1C=CN([C@@H](C)c2ccccc2)C1.Cl
InChIInChI=1S/C19H22N2.ClH/c1-16(18-9-5-3-6-10-18)20-13-14-21(15-20)17(2)19-11-7-4-8-12-19;/h3-14,16-17H,15H2,1-2H3;1H/t16-,17-;/m0./s1
InChIKeyHUZKVSNKWHUMOW-QJHJCNPRSA-N
XLogP4.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride?
The IUPAC name of 1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride (CID 173292599) is 1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride.
What is the SMILES notation for 1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride?
The canonical SMILES for 1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride is C[C@@H](c1ccccc1)N1C=CN([C@@H](C)c2ccccc2)C1.Cl.
What is the InChIKey of 1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride?
The InChIKey is HUZKVSNKWHUMOW-QJHJCNPRSA-N. The full InChI is InChI=1S/C19H22N2.ClH/c1-16(18-9-5-3-6-10-18)20-13-14-21(15-20)17(2)19-11-7-4-8-12-19;/h3-14,16-17H,15H2,1-2H3;1H/t16-,17-;/m0./s1.
What are the key properties of 1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride?
1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride is sourced from PubChem (CID 173292599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).