2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

C22H19BrN4OS — CID 29324778

IUPAC2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(CSc3nc4c(n3-c3ccccc3)CCCC4)o2)cc1
InChIInChI=1S/C22H19BrN4OS/c23-16-12-10-15(11-13-16)21-26-25-20(28-21)14-29-22-24-18-8-4-5-9-19(18)27(22)17-6-2-1-3-7-17/h1-3,6-7,10-13H,4-5,8-9,14H2
InChIKeyOSYVFESMUDSUFU-UHFFFAOYSA-N
MW467.39 g/mol
LogP5.86
Rot. Bonds5

About 2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 29324778) has the molecular formula C22H19BrN4OS and a molecular weight of 467.39 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID29324778
Molecular FormulaC22H19BrN4OS
Molecular Weight467.39 g/mol
Exact Mass466.05
IUPAC Name2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(CSc3nc4c(n3-c3ccccc3)CCCC4)o2)cc1
InChIInChI=1S/C22H19BrN4OS/c23-16-12-10-15(11-13-16)21-26-25-20(28-21)14-29-22-24-18-8-4-5-9-19(18)27(22)17-6-2-1-3-7-17/h1-3,6-7,10-13H,4-5,8-9,14H2
InChIKeyOSYVFESMUDSUFU-UHFFFAOYSA-N
XLogP5.86
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.39
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-bromophenyl)-5-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 29351684
2-(4-bromophenyl)-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 16541594
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 78831004
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 78819697
2-(4-bromophenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29351676
2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 112781732
3,6-diphenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 46791908
2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 35586810
2-(4-bromophenyl)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 16535773
3-(3-chlorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one
CID 29252167
3-(3,5-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one
CID 46602157
2-(4-chlorophenyl)-5-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2107095

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 29324778) is 2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is Brc1ccc(-c2nnc(CSc3nc4c(n3-c3ccccc3)CCCC4)o2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is OSYVFESMUDSUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4OS/c23-16-12-10-15(11-13-16)21-26-25-20(28-21)14-29-22-24-18-8-4-5-9-19(18)27(22)17-6-2-1-3-7-17/h1-3,6-7,10-13H,4-5,8-9,14H2.
What are the key properties of 2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 467.39 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 29324778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).