5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C25H20N4OS — CID 2290928

IUPAC5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)n2)cc1
InChIInChI=1S/C25H20N4OS/c1-17-12-14-20(15-13-17)24-26-21(30-29-24)16-31-25-27-22(18-8-4-2-5-9-18)23(28-25)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,27,28)
InChIKeyTYZNKDPOFTTWPU-UHFFFAOYSA-N
MW424.53 g/mol
LogP6.39
Rot. Bonds6

About 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 2290928) has the molecular formula C25H20N4OS and a molecular weight of 424.53 g/mol. Its IUPAC name is 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID2290928
Molecular FormulaC25H20N4OS
Molecular Weight424.53 g/mol
Exact Mass424.14
IUPAC Name5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)n2)cc1
InChIInChI=1S/C25H20N4OS/c1-17-12-14-20(15-13-17)24-26-21(30-29-24)16-31-25-27-22(18-8-4-2-5-9-18)23(28-25)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,27,28)
InChIKeyTYZNKDPOFTTWPU-UHFFFAOYSA-N
XLogP6.39
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole
CID 46528835
2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 3773711
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-7-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135633454
4-methyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79126709
2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 158996329
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
2-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3H-quinazolin-4-one
CID 136741690
2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 23175626
3-(4-bromophenyl)-5-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 895252
5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 27210901
2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 23175662
3-(4-methylphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 1225794

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 2290928) is 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)n2)cc1.
What is the InChIKey of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is TYZNKDPOFTTWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4OS/c1-17-12-14-20(15-13-17)24-26-21(30-29-24)16-31-25-27-22(18-8-4-2-5-9-18)23(28-25)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,27,28).
What are the key properties of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 424.53 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2290928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).