(4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole

C22H19FN2 — CID 141244405

IUPAC(4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole
SMILESCN1C(c2ccccc2F)=N[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H19FN2/c1-25-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)24-22(25)18-14-8-9-15-19(18)23/h2-15,20-21H,1H3/t20-,21-/m0/s1
InChIKeyXTASKCHATOJTJA-SFTDATJTSA-N
MW330.41 g/mol
LogP5.00
Rot. Bonds3

About (4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole

(4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole (PubChem CID 141244405) has the molecular formula C22H19FN2 and a molecular weight of 330.41 g/mol. Its IUPAC name is (4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole
PubChem CID141244405
Molecular FormulaC22H19FN2
Molecular Weight330.41 g/mol
Exact Mass330.15
IUPAC Name(4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole
SMILESCN1C(c2ccccc2F)=N[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H19FN2/c1-25-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)24-22(25)18-14-8-9-15-19(18)23/h2-15,20-21H,1H3/t20-,21-/m0/s1
InChIKeyXTASKCHATOJTJA-SFTDATJTSA-N
XLogP5.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,4-Triphenylimidazoline
CID 22054806
2,4,5-Triphenyl-2-imidazoline
CID 101777
5-(2-Fluoro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10015659
(R)-2-Methyl-3-phenethyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepine
CID 9884379
2-(3-fluorophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 9924627
4,4-bis(4-fluorophenyl)-2-m-tolyl-4,5-dihydro-1H-imidazole
CID 10154767
4,4-bis(4-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-imidazole
CID 10294504
2-Methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine
CID 10472445
(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
CID 11188163
(4R,5S)-2-[(2-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11209712
(4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole
CID 11294314
(4R,5S)-2-[2-(2-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11416652

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole?
The IUPAC name of (4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole (CID 141244405) is (4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole.
What is the SMILES notation for (4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole?
The canonical SMILES for (4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole is CN1C(c2ccccc2F)=N[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole?
The InChIKey is XTASKCHATOJTJA-SFTDATJTSA-N. The full InChI is InChI=1S/C22H19FN2/c1-25-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)24-22(25)18-14-8-9-15-19(18)23/h2-15,20-21H,1H3/t20-,21-/m0/s1.
What are the key properties of (4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole?
(4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole has a molecular weight of 330.41 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-(2-fluorophenyl)-1-methyl-4,5-diphenyl-4,5-dihydroimidazole is sourced from PubChem (CID 141244405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).