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

C28H23FN2 — CID 53243818

IUPAC(4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole
SMILESFc1ccc(C2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2Cc2ccccc2)cc1
InChIInChI=1S/C28H23FN2/c29-25-18-16-24(17-19-25)28-30-26(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)31(28)20-21-10-4-1-5-11-21/h1-19,26-27H,20H2/t26-,27-/m0/s1
InChIKeyTVCJWEBOSSDSSG-SVBPBHIXSA-N
MW406.50 g/mol
LogP6.57
Rot. Bonds5

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

(4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole (PubChem CID 53243818) has the molecular formula C28H23FN2 and a molecular weight of 406.50 g/mol. Its IUPAC name is (4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole
PubChem CID53243818
Molecular FormulaC28H23FN2
Molecular Weight406.50 g/mol
Exact Mass406.18
IUPAC Name(4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole
SMILESFc1ccc(C2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2Cc2ccccc2)cc1
InChIInChI=1S/C28H23FN2/c29-25-18-16-24(17-19-25)28-30-26(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)31(28)20-21-10-4-1-5-11-21/h1-19,26-27H,20H2/t26-,27-/m0/s1
InChIKeyTVCJWEBOSSDSSG-SVBPBHIXSA-N
XLogP6.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole
CID 135029345
(3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone
CID 563948
(4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole
CID 139040757
(3S,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-4-phenylazetidin-2-one
CID 102439574
1-benzyl-3-(4-fluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 45031889
(4S,5S)-1,3-dibenzyl-4,5-diphenylimidazolidine-2-thione
CID 24767043
3-benzyl-5-(4-fluorophenyl)triazole-4-carbonitrile
CID 11594304
1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
(2S)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073481
(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073480
(2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
CID 11382638
1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole
CID 123979130

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole?
The IUPAC name of (4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole (CID 53243818) is (4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole.
What is the SMILES notation for (4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole?
The canonical SMILES for (4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole is Fc1ccc(C2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2Cc2ccccc2)cc1.
What is the InChIKey of (4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole?
The InChIKey is TVCJWEBOSSDSSG-SVBPBHIXSA-N. The full InChI is InChI=1S/C28H23FN2/c29-25-18-16-24(17-19-25)28-30-26(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)31(28)20-21-10-4-1-5-11-21/h1-19,26-27H,20H2/t26-,27-/m0/s1.
What are the key properties of (4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole?
(4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole has a molecular weight of 406.50 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole is sourced from PubChem (CID 53243818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).