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

C17H25N3O2S — CID 24715462

IUPAC2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1ncc(CO)n1C1CCCC1
InChIInChI=1S/C17H25N3O2S/c1-3-9-19(10-4-2)16(22)13-23-17-18-11-15(12-21)20(17)14-7-5-6-8-14/h3-4,11,14,21H,1-2,5-10,12-13H2
InChIKeyHQEIPNVLHSMZTF-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.78
Rot. Bonds9

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

2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide (PubChem CID 24715462) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
PubChem CID24715462
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1ncc(CO)n1C1CCCC1
InChIInChI=1S/C17H25N3O2S/c1-3-9-19(10-4-2)16(22)13-23-17-18-11-15(12-21)20(17)14-7-5-6-8-14/h3-4,11,14,21H,1-2,5-10,12-13H2
InChIKeyHQEIPNVLHSMZTF-UHFFFAOYSA-N
XLogP2.78
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide 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 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide (CID 24715462) is 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSc1ncc(CO)n1C1CCCC1.
What is the InChIKey of 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is HQEIPNVLHSMZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-3-9-19(10-4-2)16(22)13-23-17-18-11-15(12-21)20(17)14-7-5-6-8-14/h3-4,11,14,21H,1-2,5-10,12-13H2.
What are the key properties of 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 335.47 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 24715462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).