2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

C22H19BrN2S — CID 68568393

IUPAC2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESBrc1ccc(CSC2=NC(c3ccccc3)C(c3ccccc3)N2)cc1
InChIInChI=1S/C22H19BrN2S/c23-19-13-11-16(12-14-19)15-26-22-24-20(17-7-3-1-4-8-17)21(25-22)18-9-5-2-6-10-18/h1-14,20-21H,15H2,(H,24,25)
InChIKeyVLCWZWWBBQBPSS-UHFFFAOYSA-N
MW423.38 g/mol
LogP6.12
Rot. Bonds4

About 2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 68568393) has the molecular formula C22H19BrN2S and a molecular weight of 423.38 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID68568393
Molecular FormulaC22H19BrN2S
Molecular Weight423.38 g/mol
Exact Mass422.05
IUPAC Name2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESBrc1ccc(CSC2=NC(c3ccccc3)C(c3ccccc3)N2)cc1
InChIInChI=1S/C22H19BrN2S/c23-19-13-11-16(12-14-19)15-26-22-24-20(17-7-3-1-4-8-17)21(25-22)18-9-5-2-6-10-18/h1-14,20-21H,15H2,(H,24,25)
InChIKeyVLCWZWWBBQBPSS-UHFFFAOYSA-N
XLogP6.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.38
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5S)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 45273183
Thiazolamine, 4,5-dihydro-N-((4-bromophenyl)methyl)-
CID 3055292
(13Z)-6-(4-bromophenyl)-8-(4-methylphenyl)-13-[(4-methylphenyl)methylidene]-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 134154307
(13Z)-8-(4-bromophenyl)-13-[(4-bromophenyl)methylidene]-6-phenyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 134154918
(4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole
CID 12980494
(13Z)-6,8-bis(4-bromophenyl)-13-[(4-bromophenyl)methylidene]-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 134147213
(13Z)-13-benzylidene-6-(4-bromophenyl)-8-phenyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 134150354
2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 171348321
(4r,5r)-2-(4-Bromophenyl)-4,5-diphenyl-imidazoline
CID 132493838
(4S,5R)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole
CID 12024660
2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 56659110
N-[1-(5-bromo-2-fluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 59223262

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 68568393) is 2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Brc1ccc(CSC2=NC(c3ccccc3)C(c3ccccc3)N2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is VLCWZWWBBQBPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2S/c23-19-13-11-16(12-14-19)15-26-22-24-20(17-7-3-1-4-8-17)21(25-22)18-9-5-2-6-10-18/h1-14,20-21H,15H2,(H,24,25).
What are the key properties of 2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 423.38 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68568393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).