1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine

C16H23N3O3S — CID 42529175

IUPAC1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine
SMILESCOCCS(=O)(=O)c1ncc(CN(C)C)n1Cc1ccccc1
InChIInChI=1S/C16H23N3O3S/c1-18(2)13-15-11-17-16(23(20,21)10-9-22-3)19(15)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyVETTZAPKEMZDDC-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.41
Rot. Bonds8

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

1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 42529175) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine
PubChem CID42529175
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine
SMILESCOCCS(=O)(=O)c1ncc(CN(C)C)n1Cc1ccccc1
InChIInChI=1S/C16H23N3O3S/c1-18(2)13-15-11-17-16(23(20,21)10-9-22-3)19(15)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyVETTZAPKEMZDDC-UHFFFAOYSA-N
XLogP1.41
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine (CID 42529175) is 1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine is COCCS(=O)(=O)c1ncc(CN(C)C)n1Cc1ccccc1.
What is the InChIKey of 1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is VETTZAPKEMZDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-18(2)13-15-11-17-16(23(20,21)10-9-22-3)19(15)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12-13H2,1-3H3.
What are the key properties of 1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine?
1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 337.45 g/mol, XLogP of 1.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 42529175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).