1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole

C16H14N2OS — CID 3007521

IUPAC1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1OCc1ccsc1)n1ccnc1
InChIInChI=1S/C16H14N2OS/c1-13(18-8-7-17-12-18)15-4-2-3-5-16(15)19-10-14-6-9-20-11-14/h2-9,11-12H,1,10H2
InChIKeyGAMBBNDLDOGVKY-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.04
Rot. Bonds5

About 1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole

1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole (PubChem CID 3007521) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole
PubChem CID3007521
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1OCc1ccsc1)n1ccnc1
InChIInChI=1S/C16H14N2OS/c1-13(18-8-7-17-12-18)15-4-2-3-5-16(15)19-10-14-6-9-20-11-14/h2-9,11-12H,1,10H2
InChIKeyGAMBBNDLDOGVKY-UHFFFAOYSA-N
XLogP4.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole?
The IUPAC name of 1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole (CID 3007521) is 1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole?
The canonical SMILES for 1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole is C=C(c1ccccc1OCc1ccsc1)n1ccnc1.
What is the InChIKey of 1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole?
The InChIKey is GAMBBNDLDOGVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-13(18-8-7-17-12-18)15-4-2-3-5-16(15)19-10-14-6-9-20-11-14/h2-9,11-12H,1,10H2.
What are the key properties of 1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole?
1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole has a molecular weight of 282.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole is sourced from PubChem (CID 3007521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).