1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide

C20H25N3O4S — CID 2229203

IUPAC1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)NCCOc3ccccc3)c(C)cc21
InChIInChI=1S/C20H25N3O4S/c1-4-22-17-13-15(3)19(14-18(17)23(5-2)20(22)24)28(25,26)21-11-12-27-16-9-7-6-8-10-16/h6-10,13-14,21H,4-5,11-12H2,1-3H3
InChIKeySHGQMUBZUJDXGE-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.51
Rot. Bonds8

About 1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide

1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide (PubChem CID 2229203) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide
PubChem CID2229203
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)NCCOc3ccccc3)c(C)cc21
InChIInChI=1S/C20H25N3O4S/c1-4-22-17-13-15(3)19(14-18(17)23(5-2)20(22)24)28(25,26)21-11-12-27-16-9-7-6-8-10-16/h6-10,13-14,21H,4-5,11-12H2,1-3H3
InChIKeySHGQMUBZUJDXGE-UHFFFAOYSA-N
XLogP2.51
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide?
The IUPAC name of 1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide (CID 2229203) is 1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)NCCOc3ccccc3)c(C)cc21.
What is the InChIKey of 1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide?
The InChIKey is SHGQMUBZUJDXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-22-17-13-15(3)19(14-18(17)23(5-2)20(22)24)28(25,26)21-11-12-27-16-9-7-6-8-10-16/h6-10,13-14,21H,4-5,11-12H2,1-3H3.
What are the key properties of 1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide?
1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide has a molecular weight of 403.50 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-6-methyl-2-oxo-N-(2-phenoxyethyl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 2229203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).