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

C16H22N2OS — CID 130360729

IUPAC1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole
SMILESCc1ccsc1C(COC1CCCCC1)n1ccnc1
InChIInChI=1S/C16H22N2OS/c1-13-7-10-20-16(13)15(18-9-8-17-12-18)11-19-14-5-3-2-4-6-14/h7-10,12,14-15H,2-6,11H2,1H3
InChIKeyILAHDZUTUXHMLT-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.19
Rot. Bonds5

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

1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole (PubChem CID 130360729) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole
PubChem CID130360729
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole
SMILESCc1ccsc1C(COC1CCCCC1)n1ccnc1
InChIInChI=1S/C16H22N2OS/c1-13-7-10-20-16(13)15(18-9-8-17-12-18)11-19-14-5-3-2-4-6-14/h7-10,12,14-15H,2-6,11H2,1H3
InChIKeyILAHDZUTUXHMLT-UHFFFAOYSA-N
XLogP4.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.19
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?
The IUPAC name of 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole (CID 130360729) is 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole.
What is the SMILES notation for 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole?
The canonical SMILES for 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole is Cc1ccsc1C(COC1CCCCC1)n1ccnc1.
What is the InChIKey of 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole?
The InChIKey is ILAHDZUTUXHMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-13-7-10-20-16(13)15(18-9-8-17-12-18)11-19-14-5-3-2-4-6-14/h7-10,12,14-15H,2-6,11H2,1H3.
What are the key properties of 1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole?
1-[2-cyclohexyloxy-1-(3-methylthiophen-2-yl)ethyl]imidazole has a molecular weight of 290.43 g/mol, XLogP of 4.19, 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 is sourced from PubChem (CID 130360729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).