(4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole

C24H22F2N2 — CID 11440286

IUPAC(4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole
SMILESC[C@]1(c2cccc(F)c2)NC(CCc2ccccc2)=N[C@H]1c1cccc(F)c1
InChIInChI=1S/C24H22F2N2/c1-24(19-10-6-12-21(26)16-19)23(18-9-5-11-20(25)15-18)27-22(28-24)14-13-17-7-3-2-4-8-17/h2-12,15-16,23H,13-14H2,1H3,(H,27,28)/t23-,24+/m0/s1
InChIKeyUXYJJQURMKJEOV-BJKOFHAPSA-N
MW376.45 g/mol
LogP5.56
Rot. Bonds5

About (4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole

(4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole (PubChem CID 11440286) has the molecular formula C24H22F2N2 and a molecular weight of 376.45 g/mol. Its IUPAC name is (4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole.

Molecular Properties

Compound Name(4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole
PubChem CID11440286
Molecular FormulaC24H22F2N2
Molecular Weight376.45 g/mol
Exact Mass376.18
IUPAC Name(4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole
SMILESC[C@]1(c2cccc(F)c2)NC(CCc2ccccc2)=N[C@H]1c1cccc(F)c1
InChIInChI=1S/C24H22F2N2/c1-24(19-10-6-12-21(26)16-19)23(18-9-5-11-20(25)15-18)27-22(28-24)14-13-17-7-3-2-4-8-17/h2-12,15-16,23H,13-14H2,1H3,(H,27,28)/t23-,24+/m0/s1
InChIKeyUXYJJQURMKJEOV-BJKOFHAPSA-N
XLogP5.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole?
The IUPAC name of (4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole (CID 11440286) is (4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole.
What is the SMILES notation for (4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole?
The canonical SMILES for (4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole is C[C@]1(c2cccc(F)c2)NC(CCc2ccccc2)=N[C@H]1c1cccc(F)c1.
What is the InChIKey of (4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole?
The InChIKey is UXYJJQURMKJEOV-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H22F2N2/c1-24(19-10-6-12-21(26)16-19)23(18-9-5-11-20(25)15-18)27-22(28-24)14-13-17-7-3-2-4-8-17/h2-12,15-16,23H,13-14H2,1H3,(H,27,28)/t23-,24+/m0/s1.
What are the key properties of (4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole?
(4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole has a molecular weight of 376.45 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-bis(3-fluorophenyl)-5-methyl-2-(2-phenylethyl)-1,4-dihydroimidazole is sourced from PubChem (CID 11440286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).