1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane

C18H28N2OS — CID 145352044

IUPAC1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane
SMILESCC.Cc1ccsc1C(COC1CCCCC1)n1ccnc1
InChIInChI=1S/C16H22N2OS.C2H6/c1-13-7-10-20-16(13)15(18-9-8-17-12-18)11-19-14-5-3-2-4-6-14;1-2/h7-10,12,14-15H,2-6,11H2,1H3;1-2H3
InChIKeyUQSRIUKIDXQSKR-UHFFFAOYSA-N
MW320.50 g/mol
LogP5.22
Rot. Bonds5

About 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane

1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane (PubChem CID 145352044) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane.

Molecular Properties

Compound Name1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane
PubChem CID145352044
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane
SMILESCC.Cc1ccsc1C(COC1CCCCC1)n1ccnc1
InChIInChI=1S/C16H22N2OS.C2H6/c1-13-7-10-20-16(13)15(18-9-8-17-12-18)11-19-14-5-3-2-4-6-14;1-2/h7-10,12,14-15H,2-6,11H2,1H3;1-2H3
InChIKeyUQSRIUKIDXQSKR-UHFFFAOYSA-N
XLogP5.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane?
The IUPAC name of 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane (CID 145352044) is 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane.
What is the SMILES notation for 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane?
The canonical SMILES for 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane is CC.Cc1ccsc1C(COC1CCCCC1)n1ccnc1.
What is the InChIKey of 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane?
The InChIKey is UQSRIUKIDXQSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS.C2H6/c1-13-7-10-20-16(13)15(18-9-8-17-12-18)11-19-14-5-3-2-4-6-14;1-2/h7-10,12,14-15H,2-6,11H2,1H3;1-2H3.
What are the key properties of 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane?
1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane has a molecular weight of 320.50 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole;ethane is sourced from PubChem (CID 145352044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).