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

C10H16N2OS — CID 63828623

IUPAC3-(2-cyclopentyloxyethyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1CCOC1CCCC1
InChIInChI=1S/C10H16N2OS/c14-10-11-5-6-12(10)7-8-13-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,11,14)
InChIKeyJCNSZPBHBIWKRY-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.50
Rot. Bonds4

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

3-(2-cyclopentyloxyethyl)-1H-imidazole-2-thione (PubChem CID 63828623) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(2-cyclopentyloxyethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-cyclopentyloxyethyl)-1H-imidazole-2-thione
PubChem CID63828623
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-(2-cyclopentyloxyethyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1CCOC1CCCC1
InChIInChI=1S/C10H16N2OS/c14-10-11-5-6-12(10)7-8-13-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,11,14)
InChIKeyJCNSZPBHBIWKRY-UHFFFAOYSA-N
XLogP2.50
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.50
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)-1H-imidazole-2-thione?
The IUPAC name of 3-(2-cyclopentyloxyethyl)-1H-imidazole-2-thione (CID 63828623) is 3-(2-cyclopentyloxyethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-cyclopentyloxyethyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-cyclopentyloxyethyl)-1H-imidazole-2-thione is S=c1[nH]ccn1CCOC1CCCC1.
What is the InChIKey of 3-(2-cyclopentyloxyethyl)-1H-imidazole-2-thione?
The InChIKey is JCNSZPBHBIWKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c14-10-11-5-6-12(10)7-8-13-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,11,14).
What are the key properties of 3-(2-cyclopentyloxyethyl)-1H-imidazole-2-thione?
3-(2-cyclopentyloxyethyl)-1H-imidazole-2-thione has a molecular weight of 212.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyloxyethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 63828623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).