1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole

C17H26N4O2S — CID 86931195

IUPAC1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole
SMILESCCCCN(C)S(=O)(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C17H26N4O2S/c1-3-4-13-20(2)24(22,23)19-11-10-17-18-12-14-21(17)15-16-8-6-5-7-9-16/h5-9,12,14,19H,3-4,10-11,13,15H2,1-2H3
InChIKeySGDATFXVSFEVOO-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.04
Rot. Bonds10

About 1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole

1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole (PubChem CID 86931195) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole.

Molecular Properties

Compound Name1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole
PubChem CID86931195
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole
SMILESCCCCN(C)S(=O)(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C17H26N4O2S/c1-3-4-13-20(2)24(22,23)19-11-10-17-18-12-14-21(17)15-16-8-6-5-7-9-16/h5-9,12,14,19H,3-4,10-11,13,15H2,1-2H3
InChIKeySGDATFXVSFEVOO-UHFFFAOYSA-N
XLogP2.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole?
The IUPAC name of 1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole (CID 86931195) is 1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole.
What is the SMILES notation for 1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole?
The canonical SMILES for 1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole is CCCCN(C)S(=O)(=O)NCCc1nccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole?
The InChIKey is SGDATFXVSFEVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-3-4-13-20(2)24(22,23)19-11-10-17-18-12-14-21(17)15-16-8-6-5-7-9-16/h5-9,12,14,19H,3-4,10-11,13,15H2,1-2H3.
What are the key properties of 1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole?
1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole has a molecular weight of 350.49 g/mol, XLogP of 2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole is sourced from PubChem (CID 86931195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).