1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole

C22H42N2S — CID 139774138

IUPAC1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole
SMILESC=CCSCCN1CCN=C1CCCCCCCCCCCCCC
InChIInChI=1S/C22H42N2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-23-17-18-24(22)19-21-25-20-4-2/h4H,2-3,5-21H2,1H3
InChIKeyIHYQMZLSNQINMP-UHFFFAOYSA-N
MW366.66 g/mol
LogP6.71
Rot. Bonds18

About 1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole

1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole (PubChem CID 139774138) has the molecular formula C22H42N2S and a molecular weight of 366.66 g/mol. Its IUPAC name is 1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole
PubChem CID139774138
Molecular FormulaC22H42N2S
Molecular Weight366.66 g/mol
Exact Mass366.31
IUPAC Name1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole
SMILESC=CCSCCN1CCN=C1CCCCCCCCCCCCCC
InChIInChI=1S/C22H42N2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-23-17-18-24(22)19-21-25-20-4-2/h4H,2-3,5-21H2,1H3
InChIKeyIHYQMZLSNQINMP-UHFFFAOYSA-N
XLogP6.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole?
The IUPAC name of 1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole (CID 139774138) is 1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole is C=CCSCCN1CCN=C1CCCCCCCCCCCCCC.
What is the InChIKey of 1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole?
The InChIKey is IHYQMZLSNQINMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-23-17-18-24(22)19-21-25-20-4-2/h4H,2-3,5-21H2,1H3.
What are the key properties of 1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole?
1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole has a molecular weight of 366.66 g/mol, XLogP of 6.71, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole is sourced from PubChem (CID 139774138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).