2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide

C20H24N6O5S2 — CID 45259137

IUPAC2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(COCc3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C20H24N6O5S2/c1-25(2)32(27,28)13-5-7-15-17(9-13)23-19(21-15)11-31-12-20-22-16-8-6-14(10-18(16)24-20)33(29,30)26(3)4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyBVVPCKYEPGZFQE-UHFFFAOYSA-N
MW492.58 g/mol
LogP1.66
Rot. Bonds8

About 2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide

2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide (PubChem CID 45259137) has the molecular formula C20H24N6O5S2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
PubChem CID45259137
Molecular FormulaC20H24N6O5S2
Molecular Weight492.58 g/mol
Exact Mass492.12
IUPAC Name2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(COCc3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C20H24N6O5S2/c1-25(2)32(27,28)13-5-7-15-17(9-13)23-19(21-15)11-31-12-20-22-16-8-6-14(10-18(16)24-20)33(29,30)26(3)4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyBVVPCKYEPGZFQE-UHFFFAOYSA-N
XLogP1.66
TPSA141.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-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 2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide (CID 45259137) is 2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2nc(COCc3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)[nH]c2c1.
What is the InChIKey of 2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is BVVPCKYEPGZFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O5S2/c1-25(2)32(27,28)13-5-7-15-17(9-13)23-19(21-15)11-31-12-20-22-16-8-6-14(10-18(16)24-20)33(29,30)26(3)4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide?
2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 492.58 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 45259137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).