1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide

C20H29N5O3S2 — CID 42947957

IUPAC1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide
SMILESCCCCn1c(SC(C)c2nc(CCC)no2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H29N5O3S2/c1-6-8-12-25-17-11-10-15(30(26,27)24(4)5)13-16(17)21-20(25)29-14(3)19-22-18(9-7-2)23-28-19/h10-11,13-14H,6-9,12H2,1-5H3
InChIKeyFZTDLUQCKZKHLT-UHFFFAOYSA-N
MW451.62 g/mol
LogP4.28
Rot. Bonds10

About 1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide

1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide (PubChem CID 42947957) has the molecular formula C20H29N5O3S2 and a molecular weight of 451.62 g/mol. Its IUPAC name is 1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide
PubChem CID42947957
Molecular FormulaC20H29N5O3S2
Molecular Weight451.62 g/mol
Exact Mass451.17
IUPAC Name1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide
SMILESCCCCn1c(SC(C)c2nc(CCC)no2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H29N5O3S2/c1-6-8-12-25-17-11-10-15(30(26,27)24(4)5)13-16(17)21-20(25)29-14(3)19-22-18(9-7-2)23-28-19/h10-11,13-14H,6-9,12H2,1-5H3
InChIKeyFZTDLUQCKZKHLT-UHFFFAOYSA-N
XLogP4.28
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide with MolForge

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Related Compounds

N,N,1-triethyl-2-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylbenzimidazole-5-sulfonamide
CID 35169814
1-butyl-N,N-dimethyl-2-[1-oxo-1-(2,4,6-trifluorophenyl)propan-2-yl]sulfanylbenzimidazole-5-sulfonamide
CID 166189984
1-butyl-2-[1-cyano-2-(4-methylphenyl)ethyl]sulfanyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 60543594
1-butyl-N,N-dimethyl-2-(oxan-2-ylmethylsulfanyl)benzimidazole-5-sulfonamide
CID 42981982
2-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 42374829
1-butyl-2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylbenzimidazole-5-sulfonamide
CID 41082483
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[(2S)-pentan-2-yl]propanamide
CID 34821944
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 55331363
N-[(2R)-butan-2-yl]-2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanylacetamide
CID 29180122
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 55557986
2-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 41317992
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 43005369

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide?
The IUPAC name of 1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide (CID 42947957) is 1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide?
The canonical SMILES for 1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide is CCCCn1c(SC(C)c2nc(CCC)no2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide?
The InChIKey is FZTDLUQCKZKHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S2/c1-6-8-12-25-17-11-10-15(30(26,27)24(4)5)13-16(17)21-20(25)29-14(3)19-22-18(9-7-2)23-28-19/h10-11,13-14H,6-9,12H2,1-5H3.
What are the key properties of 1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide?
1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide has a molecular weight of 451.62 g/mol, XLogP of 4.28, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N,N-dimethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]benzimidazole-5-sulfonamide is sourced from PubChem (CID 42947957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).