3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione

C13H22N2OS — CID 64863189

IUPAC3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CCOC1CCCC1
InChIInChI=1S/C13H22N2OS/c1-10(2)12-9-14-13(17)15(12)7-8-16-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,14,17)
InChIKeyHDTMXRGOWNPZLV-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.63
Rot. Bonds5

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

3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64863189) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64863189
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CCOC1CCCC1
InChIInChI=1S/C13H22N2OS/c1-10(2)12-9-14-13(17)15(12)7-8-16-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,14,17)
InChIKeyHDTMXRGOWNPZLV-UHFFFAOYSA-N
XLogP3.63
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519162
3-[2-(3-methylbutoxy)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64862789
3-(2-butoxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862790
3-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64862976
3-(oxolan-2-ylmethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863155
3-(1-methoxypropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863162
3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863376
3-(oxan-2-ylmethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863558
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64863562
3-(2-ethoxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863740
3-(2-methoxycyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863750
3-[2-(oxolan-2-yl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64864333

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione (CID 64863189) is 3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione is CC(C)c1c[nH]c(=S)n1CCOC1CCCC1.
What is the InChIKey of 3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is HDTMXRGOWNPZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(2)12-9-14-13(17)15(12)7-8-16-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione?
3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 254.40 g/mol, XLogP of 3.63, 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-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64863189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).