5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole

C14H16N4OS — CID 47146324

IUPAC5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CSc2nc3ccccc3n2C)n1
InChIInChI=1S/C14H16N4OS/c1-3-6-12-16-13(19-17-12)9-20-14-15-10-7-4-5-8-11(10)18(14)2/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyCBKNPPDDAFYMED-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.20
Rot. Bonds5

About 5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole

5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 47146324) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID47146324
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CSc2nc3ccccc3n2C)n1
InChIInChI=1S/C14H16N4OS/c1-3-6-12-16-13(19-17-12)9-20-14-15-10-7-4-5-8-11(10)18(14)2/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyCBKNPPDDAFYMED-UHFFFAOYSA-N
XLogP3.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-bromophenyl)-5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 40673791
3-butyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 24650903
3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 36819270
2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-benzoxazole
CID 52557868
3-(2-propan-2-ylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 36679445
3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 55533484
1-methyl-2-[(4-methylphenyl)methylsulfanyl]benzimidazole
CID 47094789
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 46810614
5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 47147764
5-propyl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115591565
5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole
CID 30469751
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one
CID 24651629

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole (CID 47146324) is 5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CSc2nc3ccccc3n2C)n1.
What is the InChIKey of 5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is CBKNPPDDAFYMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-3-6-12-16-13(19-17-12)9-20-14-15-10-7-4-5-8-11(10)18(14)2/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of 5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 288.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 47146324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).