2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide

C17H23N3O4S — CID 70723748

IUPAC2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide
SMILESCC(Cc1ccc2c(c1)OCO2)c1nccn1CCS(=O)(=O)N(C)C
InChIInChI=1S/C17H23N3O4S/c1-13(10-14-4-5-15-16(11-14)24-12-23-15)17-18-6-7-20(17)8-9-25(21,22)19(2)3/h4-7,11,13H,8-10,12H2,1-3H3
InChIKeyATWZARMOQHJIRW-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.85
Rot. Bonds7

About 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide

2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide (PubChem CID 70723748) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide
PubChem CID70723748
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide
SMILESCC(Cc1ccc2c(c1)OCO2)c1nccn1CCS(=O)(=O)N(C)C
InChIInChI=1S/C17H23N3O4S/c1-13(10-14-4-5-15-16(11-14)24-12-23-15)17-18-6-7-20(17)8-9-25(21,22)19(2)3/h4-7,11,13H,8-10,12H2,1-3H3
InChIKeyATWZARMOQHJIRW-UHFFFAOYSA-N
XLogP1.85
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole
CID 95205234
2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole
CID 95209576
3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine
CID 56751275
6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline
CID 95559962
2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(1,3-dihydro-2-benzofuran-5-yl)imidazole
CID 138383889
1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615
1-(1,3-benzodioxol-5-yl)-N-(dimethylsulfamoyl)-N-methylmethanamine
CID 35312180
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 42325917
(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide (CID 70723748) is 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide is CC(Cc1ccc2c(c1)OCO2)c1nccn1CCS(=O)(=O)N(C)C.
What is the InChIKey of 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide?
The InChIKey is ATWZARMOQHJIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-13(10-14-4-5-15-16(11-14)24-12-23-15)17-18-6-7-20(17)8-9-25(21,22)19(2)3/h4-7,11,13H,8-10,12H2,1-3H3.
What are the key properties of 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide?
2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 70723748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).