N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C13H19N3O5S — CID 3158006

IUPACN-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NCCOCCO)ccc21
InChIInChI=1S/C13H19N3O5S/c1-15-11-4-3-10(9-12(11)16(2)13(15)18)22(19,20)14-5-7-21-8-6-17/h3-4,9,14,17H,5-8H2,1-2H3
InChIKeyNAJKTZUNDWIQKP-UHFFFAOYSA-N
MW329.38 g/mol
LogP-0.84
Rot. Bonds7

About N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 3158006) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID3158006
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NCCOCCO)ccc21
InChIInChI=1S/C13H19N3O5S/c1-15-11-4-3-10(9-12(11)16(2)13(15)18)22(19,20)14-5-7-21-8-6-17/h3-4,9,14,17H,5-8H2,1-2H3
InChIKeyNAJKTZUNDWIQKP-UHFFFAOYSA-N
XLogP-0.84
TPSA102.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 3158006) is N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCOCCO)ccc21.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is NAJKTZUNDWIQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S/c1-15-11-4-3-10(9-12(11)16(2)13(15)18)22(19,20)14-5-7-21-8-6-17/h3-4,9,14,17H,5-8H2,1-2H3.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 329.38 g/mol, XLogP of -0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 3158006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).