1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone

C24H21FN2O — CID 70887676

IUPAC1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone
SMILESCN1C(CC(=O)c2ccc(F)cc2)=N[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H21FN2O/c1-27-22(16-21(28)17-12-14-20(25)15-13-17)26-23(18-8-4-2-5-9-18)24(27)19-10-6-3-7-11-19/h2-15,23-24H,16H2,1H3/t23-,24+/m0/s1
InChIKeyNAVGKSBRXOTHSQ-BJKOFHAPSA-N
MW372.44 g/mol
LogP5.22
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone

1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone (PubChem CID 70887676) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone
PubChem CID70887676
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone
SMILESCN1C(CC(=O)c2ccc(F)cc2)=N[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H21FN2O/c1-27-22(16-21(28)17-12-14-20(25)15-13-17)26-23(18-8-4-2-5-9-18)24(27)19-10-6-3-7-11-19/h2-15,23-24H,16H2,1H3/t23-,24+/m0/s1
InChIKeyNAVGKSBRXOTHSQ-BJKOFHAPSA-N
XLogP5.22
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone (CID 70887676) is 1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone is CN1C(CC(=O)c2ccc(F)cc2)=N[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone?
The InChIKey is NAVGKSBRXOTHSQ-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H21FN2O/c1-27-22(16-21(28)17-12-14-20(25)15-13-17)26-23(18-8-4-2-5-9-18)24(27)19-10-6-3-7-11-19/h2-15,23-24H,16H2,1H3/t23-,24+/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone?
1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone has a molecular weight of 372.44 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone is sourced from PubChem (CID 70887676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).