2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole

C17H24N2OS — CID 67456732

IUPAC2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole
SMILESCC(C)(C)c1nc(-c2ccsc2)cn1CC1CCOCC1
InChIInChI=1S/C17H24N2OS/c1-17(2,3)16-18-15(14-6-9-21-12-14)11-19(16)10-13-4-7-20-8-5-13/h6,9,11-13H,4-5,7-8,10H2,1-3H3
InChIKeyWPZMTYWXWDTUAN-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.34
Rot. Bonds3

About 2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole

2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole (PubChem CID 67456732) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole.

Molecular Properties

Compound Name2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole
PubChem CID67456732
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole
SMILESCC(C)(C)c1nc(-c2ccsc2)cn1CC1CCOCC1
InChIInChI=1S/C17H24N2OS/c1-17(2,3)16-18-15(14-6-9-21-12-14)11-19(16)10-13-4-7-20-8-5-13/h6,9,11-13H,4-5,7-8,10H2,1-3H3
InChIKeyWPZMTYWXWDTUAN-UHFFFAOYSA-N
XLogP4.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole?
The IUPAC name of 2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole (CID 67456732) is 2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole.
What is the SMILES notation for 2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole?
The canonical SMILES for 2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole is CC(C)(C)c1nc(-c2ccsc2)cn1CC1CCOCC1.
What is the InChIKey of 2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole?
The InChIKey is WPZMTYWXWDTUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-17(2,3)16-18-15(14-6-9-21-12-14)11-19(16)10-13-4-7-20-8-5-13/h6,9,11-13H,4-5,7-8,10H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole?
2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole has a molecular weight of 304.46 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole is sourced from PubChem (CID 67456732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).