3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione

C12H20N2OS — CID 81335689

IUPAC3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1CCOC1CCCC1
InChIInChI=1S/C12H20N2OS/c1-2-10-9-13-12(16)14(10)7-8-15-11-5-3-4-6-11/h9,11H,2-8H2,1H3,(H,13,16)
InChIKeyCDALSMFOSQANMS-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.07
Rot. Bonds5

About 3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione

3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione (PubChem CID 81335689) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione
PubChem CID81335689
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1CCOC1CCCC1
InChIInChI=1S/C12H20N2OS/c1-2-10-9-13-12(16)14(10)7-8-15-11-5-3-4-6-11/h9,11H,2-8H2,1H3,(H,13,16)
InChIKeyCDALSMFOSQANMS-UHFFFAOYSA-N
XLogP3.07
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione?
The IUPAC name of 3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione (CID 81335689) is 3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione is CCc1c[nH]c(=S)n1CCOC1CCCC1.
What is the InChIKey of 3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione?
The InChIKey is CDALSMFOSQANMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-10-9-13-12(16)14(10)7-8-15-11-5-3-4-6-11/h9,11H,2-8H2,1H3,(H,13,16).
What are the key properties of 3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione?
3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione has a molecular weight of 240.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyloxyethyl)-4-ethyl-1H-imidazole-2-thione is sourced from PubChem (CID 81335689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).