1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide

C17H19N3O3S — CID 974153

IUPAC1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NCCc3ccccc3)ccc21
InChIInChI=1S/C17H19N3O3S/c1-19-15-9-8-14(12-16(15)20(2)17(19)21)24(22,23)18-11-10-13-6-4-3-5-7-13/h3-9,12,18H,10-11H2,1-2H3
InChIKeyGPHAMDBKSWUEPZ-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.40
Rot. Bonds5

About 1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide

1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide (PubChem CID 974153) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide
PubChem CID974153
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NCCc3ccccc3)ccc21
InChIInChI=1S/C17H19N3O3S/c1-19-15-9-8-14(12-16(15)20(2)17(19)21)24(22,23)18-11-10-13-6-4-3-5-7-13/h3-9,12,18H,10-11H2,1-2H3
InChIKeyGPHAMDBKSWUEPZ-UHFFFAOYSA-N
XLogP1.40
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide (CID 974153) is 1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCc3ccccc3)ccc21.
What is the InChIKey of 1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide?
The InChIKey is GPHAMDBKSWUEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-19-15-9-8-14(12-16(15)20(2)17(19)21)24(22,23)18-11-10-13-6-4-3-5-7-13/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide?
1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-N-(2-phenylethyl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 974153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).