1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide

C17H20N4O2S2 — CID 41434117

IUPAC1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide
SMILESCCCn1c(SCCc2ccccn2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C17H20N4O2S2/c1-2-10-21-16-7-6-14(25(18,22)23)12-15(16)20-17(21)24-11-8-13-5-3-4-9-19-13/h3-7,9,12H,2,8,10-11H2,1H3,(H2,18,22,23)
InChIKeyJDMNVNPMPIZKCQ-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.82
Rot. Bonds7

About 1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide

1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide (PubChem CID 41434117) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide
PubChem CID41434117
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide
SMILESCCCn1c(SCCc2ccccn2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C17H20N4O2S2/c1-2-10-21-16-7-6-14(25(18,22)23)12-15(16)20-17(21)24-11-8-13-5-3-4-9-19-13/h3-7,9,12H,2,8,10-11H2,1H3,(H2,18,22,23)
InChIKeyJDMNVNPMPIZKCQ-UHFFFAOYSA-N
XLogP2.82
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 30798711
2-(2-oxopropylsulfanyl)-1-propylbenzimidazole-5-sulfonamide
CID 40657918
N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 30799052
2-[(4-fluorophenyl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 30798918
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 40685357
2-[(1-benzylpyrazol-4-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 71907301
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 134012414
2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide
CID 40743311
2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 16567256
2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 16601760
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide
CID 7481485
1-butyl-2-[(2-cyanophenyl)methylsulfanyl]benzimidazole-5-sulfonamide
CID 7506824

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide?
The IUPAC name of 1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide (CID 41434117) is 1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide?
The canonical SMILES for 1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide is CCCn1c(SCCc2ccccn2)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide?
The InChIKey is JDMNVNPMPIZKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-2-10-21-16-7-6-14(25(18,22)23)12-15(16)20-17(21)24-11-8-13-5-3-4-9-19-13/h3-7,9,12H,2,8,10-11H2,1H3,(H2,18,22,23).
What are the key properties of 1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide?
1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide has a molecular weight of 376.51 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 41434117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).