2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone

C23H19FN2O — CID 68568625

IUPAC2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1)c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O/c24-19-13-11-16(12-14-19)20(27)15-21-25-22(17-7-3-1-4-8-17)23(26-21)18-9-5-2-6-10-18/h1-14,22-23H,15H2,(H,25,26)/t22-,23+
InChIKeyLKFWVQPSUUNWHJ-ZRZAMGCNSA-N
MW358.42 g/mol
LogP4.88
Rot. Bonds5

About 2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone

2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 68568625) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone
PubChem CID68568625
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1)c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O/c24-19-13-11-16(12-14-19)20(27)15-21-25-22(17-7-3-1-4-8-17)23(26-21)18-9-5-2-6-10-18/h1-14,22-23H,15H2,(H,25,26)/t22-,23+
InChIKeyLKFWVQPSUUNWHJ-ZRZAMGCNSA-N
XLogP4.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone (CID 68568625) is 2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone is O=C(CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is LKFWVQPSUUNWHJ-ZRZAMGCNSA-N. The full InChI is InChI=1S/C23H19FN2O/c24-19-13-11-16(12-14-19)20(27)15-21-25-22(17-7-3-1-4-8-17)23(26-21)18-9-5-2-6-10-18/h1-14,22-23H,15H2,(H,25,26)/t22-,23+.
What are the key properties of 2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone?
2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 358.42 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 68568625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).