N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine

C19H29N3O3S — CID 26406980

IUPACN-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCOCCS(=O)(=O)c1ncc(CN(C)CC(C)C)n1Cc1ccccc1
InChIInChI=1S/C19H29N3O3S/c1-16(2)13-21(3)15-18-12-20-19(26(23,24)11-10-25-4)22(18)14-17-8-6-5-7-9-17/h5-9,12,16H,10-11,13-15H2,1-4H3
InChIKeyNXTJIXFCSHRVGE-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.44
Rot. Bonds10

About N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine

N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine (PubChem CID 26406980) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
PubChem CID26406980
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCOCCS(=O)(=O)c1ncc(CN(C)CC(C)C)n1Cc1ccccc1
InChIInChI=1S/C19H29N3O3S/c1-16(2)13-21(3)15-18-12-20-19(26(23,24)11-10-25-4)22(18)14-17-8-6-5-7-9-17/h5-9,12,16H,10-11,13-15H2,1-4H3
InChIKeyNXTJIXFCSHRVGE-UHFFFAOYSA-N
XLogP2.44
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine 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 N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine (CID 26406980) is N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine is COCCS(=O)(=O)c1ncc(CN(C)CC(C)C)n1Cc1ccccc1.
What is the InChIKey of N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine?
The InChIKey is NXTJIXFCSHRVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-16(2)13-21(3)15-18-12-20-19(26(23,24)11-10-25-4)22(18)14-17-8-6-5-7-9-17/h5-9,12,16H,10-11,13-15H2,1-4H3.
What are the key properties of N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine?
N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine has a molecular weight of 379.53 g/mol, XLogP of 2.44, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 26406980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).