(4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole

C23H16F3N3O — CID 156704673

IUPAC(4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole
SMILESCc1ccc(C2=Nc3nc4ccccc4n3[C@@](c3ccccc3)(C(F)(F)F)O2)cc1
InChIInChI=1S/C23H16F3N3O/c1-15-11-13-16(14-12-15)20-28-21-27-18-9-5-6-10-19(18)29(21)22(30-20,23(24,25)26)17-7-3-2-4-8-17/h2-14H,1H3/t22-/m1/s1
InChIKeyYDENNFFHVMPZJO-JOCHJYFZSA-N
MW407.40 g/mol
LogP5.72
Rot. Bonds2

About (4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole

(4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole (PubChem CID 156704673) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is (4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole.

Molecular Properties

Compound Name(4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole
PubChem CID156704673
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name(4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole
SMILESCc1ccc(C2=Nc3nc4ccccc4n3[C@@](c3ccccc3)(C(F)(F)F)O2)cc1
InChIInChI=1S/C23H16F3N3O/c1-15-11-13-16(14-12-15)20-28-21-27-18-9-5-6-10-19(18)29(21)22(30-20,23(24,25)26)17-7-3-2-4-8-17/h2-14H,1H3/t22-/m1/s1
InChIKeyYDENNFFHVMPZJO-JOCHJYFZSA-N
XLogP5.72
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole
CID 22482459
1-(2-Benzyloxy-ethyl)-2-(4-methyl-piperazin-1-yl)-1H-benzoimidazole
CID 13623356
1-Methyl-5-[[4-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methyl]benzimidazole
CID 168274755
1H-Benzimidazole, 2-(((2,6-difluorophenyl)methoxy)methyl)-1-((2,6-difluorophenyl)methyl)-
CID 468846
1-(4-Benzyloxybutyl)-2-ethyl-benzimidazole
CID 122190742
5-[[4-[(3,4-Difluorophenyl)methoxy]piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 168277992
1-(2-Benzyloxy-2-phenyl-ethyl)benzimidazole
CID 16729027
1-[2-[(4-Fluorophenyl)methoxy]-2-phenyl-ethyl]benzimidazole
CID 16729028
1-[2-Phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole
CID 16729031
1-[(4-Methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole
CID 134083961
(1-Methyl-1H-benzimidazol-2-yl)(4-methylphenyl)phenylmethanol
CID 629996
1-[2-(methoxymethyl)benzyl]-1H-benzimidazole
CID 973915

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole?
The IUPAC name of (4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole (CID 156704673) is (4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole.
What is the SMILES notation for (4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole?
The canonical SMILES for (4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole is Cc1ccc(C2=Nc3nc4ccccc4n3[C@@](c3ccccc3)(C(F)(F)F)O2)cc1.
What is the InChIKey of (4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole?
The InChIKey is YDENNFFHVMPZJO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H16F3N3O/c1-15-11-13-16(14-12-15)20-28-21-27-18-9-5-6-10-19(18)29(21)22(30-20,23(24,25)26)17-7-3-2-4-8-17/h2-14H,1H3/t22-/m1/s1.
What are the key properties of (4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole?
(4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole has a molecular weight of 407.40 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-methylphenyl)-4-phenyl-4-(trifluoromethyl)-[1,3,5]oxadiazino[3,4-a]benzimidazole is sourced from PubChem (CID 156704673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).