4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione

C15H26N2OS — CID 81335690

IUPAC4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione
SMILESCC(C)(C)c1c[nH]c(=S)n1CCOC1CCCCC1
InChIInChI=1S/C15H26N2OS/c1-15(2,3)13-11-16-14(19)17(13)9-10-18-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,19)
InChIKeyPRWZWKIALRIACL-UHFFFAOYSA-N
MW282.45 g/mol
LogP4.19
Rot. Bonds4

About 4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione

4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione (PubChem CID 81335690) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione
PubChem CID81335690
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione
SMILESCC(C)(C)c1c[nH]c(=S)n1CCOC1CCCCC1
InChIInChI=1S/C15H26N2OS/c1-15(2,3)13-11-16-14(19)17(13)9-10-18-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,19)
InChIKeyPRWZWKIALRIACL-UHFFFAOYSA-N
XLogP4.19
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 54.19
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

5-tert-butyl-1-(2-methoxyethyl)-1H-imidazole-2-thiol
CID 12519159
3-(2-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863189
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
4-ethyl-3-(oxan-2-ylmethyl)-1H-imidazole-2-thione
CID 81334606
3-(2-butoxyethyl)-4-tert-butyl-1H-imidazole-2-thione
CID 81334614
4-tert-butyl-3-(1-ethoxypropan-2-yl)-1H-imidazole-2-thione
CID 81334721
4-tert-butyl-3-(1-methoxybutan-2-yl)-1H-imidazole-2-thione
CID 81334750
4-tert-butyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 81334815
4-tert-butyl-3-(1-methoxypentan-2-yl)-1H-imidazole-2-thione
CID 81334873
4-tert-butyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 81335076
4-tert-butyl-3-(oxan-3-yl)-1H-imidazole-2-thione
CID 81335457

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione?
The IUPAC name of 4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione (CID 81335690) is 4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione?
The canonical SMILES for 4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione is CC(C)(C)c1c[nH]c(=S)n1CCOC1CCCCC1.
What is the InChIKey of 4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione?
The InChIKey is PRWZWKIALRIACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-15(2,3)13-11-16-14(19)17(13)9-10-18-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,19).
What are the key properties of 4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione?
4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione has a molecular weight of 282.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(2-cyclohexyloxyethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81335690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).