2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole

C13H16N2OS — CID 155912420

IUPAC2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole
SMILESCc1ccc(-c2nccn2CC2CCOC2)s1
InChIInChI=1S/C13H16N2OS/c1-10-2-3-12(17-10)13-14-5-6-15(13)8-11-4-7-16-9-11/h2-3,5-6,11H,4,7-9H2,1H3
InChIKeyBDLXTEGQFQTMIT-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.96
Rot. Bonds3

About 2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole

2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole (PubChem CID 155912420) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole
PubChem CID155912420
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole
SMILESCc1ccc(-c2nccn2CC2CCOC2)s1
InChIInChI=1S/C13H16N2OS/c1-10-2-3-12(17-10)13-14-5-6-15(13)8-11-4-7-16-9-11/h2-3,5-6,11H,4,7-9H2,1H3
InChIKeyBDLXTEGQFQTMIT-UHFFFAOYSA-N
XLogP2.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole?
The IUPAC name of 2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole (CID 155912420) is 2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole is Cc1ccc(-c2nccn2CC2CCOC2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole?
The InChIKey is BDLXTEGQFQTMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-2-3-12(17-10)13-14-5-6-15(13)8-11-4-7-16-9-11/h2-3,5-6,11H,4,7-9H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole?
2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole has a molecular weight of 248.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole is sourced from PubChem (CID 155912420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).