(4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole

C21H15F3N2 — CID 127262295

IUPAC(4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole
SMILESFc1ccc(C2=N[C@H](c3ccc(F)cc3)[C@H](c3ccc(F)cc3)N2)cc1
InChIInChI=1S/C21H15F3N2/c22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)26-21(25-19)15-5-11-18(24)12-6-15/h1-12,19-20H,(H,25,26)/t19-,20+
InChIKeyAJEZCONNODRJJS-BGYRXZFFSA-N
MW352.36 g/mol
LogP4.94
Rot. Bonds3

About (4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole

(4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole (PubChem CID 127262295) has the molecular formula C21H15F3N2 and a molecular weight of 352.36 g/mol. Its IUPAC name is (4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole
PubChem CID127262295
Molecular FormulaC21H15F3N2
Molecular Weight352.36 g/mol
Exact Mass352.12
IUPAC Name(4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole
SMILESFc1ccc(C2=N[C@H](c3ccc(F)cc3)[C@H](c3ccc(F)cc3)N2)cc1
InChIInChI=1S/C21H15F3N2/c22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)26-21(25-19)15-5-11-18(24)12-6-15/h1-12,19-20H,(H,25,26)/t19-,20+
InChIKeyAJEZCONNODRJJS-BGYRXZFFSA-N
XLogP4.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenylimidazoline
CID 13639
2,4,4-Triphenylimidazoline
CID 22054806
1H-Imidazole, 4,5-dihydro-5-methyl-2-phenyl-
CID 70319
2,4,5-Triphenyl-2-imidazoline
CID 101777
2-(4-phenylphenyl)-4,5-dihydro-1H-imidazole
CID 9837412
2-(3-fluorophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 9924627
2-(3-chlorophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 9947469
2-(3-Cyanophenyl)-4,4-bis(4-fluorophenyl)-2-imidazoline
CID 10133076
4,4-bis(4-fluorophenyl)-2-m-tolyl-4,5-dihydro-1H-imidazole
CID 10154767
2-(3-bromophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 10273149
4,4-bis(4-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-imidazole
CID 10294504
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole
CID 10374995

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole (CID 127262295) is (4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole is Fc1ccc(C2=N[C@H](c3ccc(F)cc3)[C@H](c3ccc(F)cc3)N2)cc1.
What is the InChIKey of (4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is AJEZCONNODRJJS-BGYRXZFFSA-N. The full InChI is InChI=1S/C21H15F3N2/c22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)26-21(25-19)15-5-11-18(24)12-6-15/h1-12,19-20H,(H,25,26)/t19-,20+.
What are the key properties of (4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole?
(4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 352.36 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 127262295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).