(4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

C24H19F3N2OS — CID 4172307

IUPAC(4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N2OS/c25-24(26,27)21-8-4-5-17(15-21)16-31-23-28-13-14-29(23)22(30)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-12,15H,13-14,16H2
InChIKeyRTIHXXGNJFWJIH-UHFFFAOYSA-N
MW440.49 g/mol
LogP6.12
Rot. Bonds4

About (4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

(4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 4172307) has the molecular formula C24H19F3N2OS and a molecular weight of 440.49 g/mol. Its IUPAC name is (4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID4172307
Molecular FormulaC24H19F3N2OS
Molecular Weight440.49 g/mol
Exact Mass440.12
IUPAC Name(4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N2OS/c25-24(26,27)21-8-4-5-17(15-21)16-31-23-28-13-14-29(23)22(30)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-12,15H,13-14,16H2
InChIKeyRTIHXXGNJFWJIH-UHFFFAOYSA-N
XLogP6.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.49
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 4638818
(3,4-diethoxyphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5176571
[3,5-bis(trifluoromethyl)phenyl]-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5161843
2-naphthalen-2-yloxy-1-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 3633687
1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole
CID 2148737
(2-chlorophenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3644391
3-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid
CID 88838454
(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5079470
[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3-fluorophenyl)methanone
CID 5236621
1,3-benzodioxol-5-yl-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4219251
(2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3442350
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 4172307) is (4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is RTIHXXGNJFWJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2OS/c25-24(26,27)21-8-4-5-17(15-21)16-31-23-28-13-14-29(23)22(30)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-12,15H,13-14,16H2.
What are the key properties of (4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
(4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 440.49 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 4172307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).