2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide

C15H23N3O3S — CID 4233044

IUPAC2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1ncc(CO)n1CCOC
InChIInChI=1S/C15H23N3O3S/c1-4-6-17(7-5-2)14(20)12-22-15-16-10-13(11-19)18(15)8-9-21-3/h4-5,10,19H,1-2,6-9,11-12H2,3H3
InChIKeyJEKHXNYFDOCKMV-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.31
Rot. Bonds11

About 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide

2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide (PubChem CID 4233044) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
PubChem CID4233044
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1ncc(CO)n1CCOC
InChIInChI=1S/C15H23N3O3S/c1-4-6-17(7-5-2)14(20)12-22-15-16-10-13(11-19)18(15)8-9-21-3/h4-5,10,19H,1-2,6-9,11-12H2,3H3
InChIKeyJEKHXNYFDOCKMV-UHFFFAOYSA-N
XLogP1.31
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide (CID 4233044) is 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSc1ncc(CO)n1CCOC.
What is the InChIKey of 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is JEKHXNYFDOCKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-4-6-17(7-5-2)14(20)12-22-15-16-10-13(11-19)18(15)8-9-21-3/h4-5,10,19H,1-2,6-9,11-12H2,3H3.
What are the key properties of 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.31, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 4233044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).