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

C14H24N2OS — CID 64863376

IUPAC3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CCOC1CCCCC1
InChIInChI=1S/C14H24N2OS/c1-11(2)13-10-15-14(18)16(13)8-9-17-12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyIFJQZLFPHGFRTP-UHFFFAOYSA-N
MW268.43 g/mol
LogP4.02
Rot. Bonds5

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

3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64863376) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64863376
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CCOC1CCCCC1
InChIInChI=1S/C14H24N2OS/c1-11(2)13-10-15-14(18)16(13)8-9-17-12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyIFJQZLFPHGFRTP-UHFFFAOYSA-N
XLogP4.02
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863189
3-(oxan-2-ylmethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863558
3-(2-ethoxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863740
3-[2-(oxolan-2-yl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64864333
3-(1-methoxybutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64864537
3-(1-methoxypentan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64864731
3-(1-ethoxypropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64864918

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione (CID 64863376) is 3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione is CC(C)c1c[nH]c(=S)n1CCOC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is IFJQZLFPHGFRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11(2)13-10-15-14(18)16(13)8-9-17-12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,15,18).
What are the key properties of 3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione?
3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 268.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64863376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).