(4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride

C23H22ClFN2O — CID 68569581

IUPAC(4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.Fc1cccc(COCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1
InChIInChI=1S/C23H21FN2O.ClH/c24-20-13-7-8-17(14-20)15-27-16-21-25-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19;/h1-14,22-23H,15-16H2,(H,25,26);1H/t22-,23+;
InChIKeyLFJLVNAQTKWCFZ-ZJXXCOCUSA-N
MW396.89 g/mol
LogP5.25
Rot. Bonds6

About (4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride

(4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 68569581) has the molecular formula C23H22ClFN2O and a molecular weight of 396.89 g/mol. Its IUPAC name is (4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name(4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID68569581
Molecular FormulaC23H22ClFN2O
Molecular Weight396.89 g/mol
Exact Mass396.14
IUPAC Name(4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.Fc1cccc(COCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1
InChIInChI=1S/C23H21FN2O.ClH/c24-20-13-7-8-17(14-20)15-27-16-21-25-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19;/h1-14,22-23H,15-16H2,(H,25,26);1H/t22-,23+;
InChIKeyLFJLVNAQTKWCFZ-ZJXXCOCUSA-N
XLogP5.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.89
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of (4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride (CID 68569581) is (4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for (4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for (4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride is Cl.Fc1cccc(COCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1.
What is the InChIKey of (4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is LFJLVNAQTKWCFZ-ZJXXCOCUSA-N. The full InChI is InChI=1S/C23H21FN2O.ClH/c24-20-13-7-8-17(14-20)15-27-16-21-25-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19;/h1-14,22-23H,15-16H2,(H,25,26);1H/t22-,23+;.
What are the key properties of (4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride?
(4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 396.89 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 68569581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).