2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole

C24H20N4OS — CID 142315882

IUPAC2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1nc2ccccc2n1Cc1nnc(SCc2ccccc2-c2ccccc2)o1
InChIInChI=1S/C24H20N4OS/c1-17-25-21-13-7-8-14-22(21)28(17)15-23-26-27-24(29-23)30-16-19-11-5-6-12-20(19)18-9-3-2-4-10-18/h2-14H,15-16H2,1H3
InChIKeyAXXGTDLEMJURHZ-UHFFFAOYSA-N
MW412.52 g/mol
LogP5.74
Rot. Bonds6

About 2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole

2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 142315882) has the molecular formula C24H20N4OS and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID142315882
Molecular FormulaC24H20N4OS
Molecular Weight412.52 g/mol
Exact Mass412.14
IUPAC Name2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1nc2ccccc2n1Cc1nnc(SCc2ccccc2-c2ccccc2)o1
InChIInChI=1S/C24H20N4OS/c1-17-25-21-13-7-8-14-22(21)28(17)15-23-26-27-24(29-23)30-16-19-11-5-6-12-20(19)18-9-3-2-4-10-18/h2-14H,15-16H2,1H3
InChIKeyAXXGTDLEMJURHZ-UHFFFAOYSA-N
XLogP5.74
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methylphenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 146324623
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 142316188
4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 142315906
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
1-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-7-chloro-3-methylquinoxalin-2-one
CID 24851143
2-(benzotriazol-1-ylmethyl)-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 71712713
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
N-(4-bromophenyl)-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-amine
CID 142316170
2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
CID 142316071
ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate
CID 18681064
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole (CID 142315882) is 2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole is Cc1nc2ccccc2n1Cc1nnc(SCc2ccccc2-c2ccccc2)o1.
What is the InChIKey of 2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is AXXGTDLEMJURHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4OS/c1-17-25-21-13-7-8-14-22(21)28(17)15-23-26-27-24(29-23)30-16-19-11-5-6-12-20(19)18-9-3-2-4-10-18/h2-14H,15-16H2,1H3.
What are the key properties of 2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 412.52 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 142315882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).