1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole

C16H16N2S — CID 116621535

IUPAC1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole
SMILESCCc1ccc(Cn2ccnc2-c2cccs2)cc1
InChIInChI=1S/C16H16N2S/c1-2-13-5-7-14(8-6-13)12-18-10-9-17-16(18)15-4-3-11-19-15/h3-11H,2,12H2,1H3
InChIKeyGCDLRDSGWGLNAI-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.22
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole

1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole (PubChem CID 116621535) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole
PubChem CID116621535
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole
SMILESCCc1ccc(Cn2ccnc2-c2cccs2)cc1
InChIInChI=1S/C16H16N2S/c1-2-13-5-7-14(8-6-13)12-18-10-9-17-16(18)15-4-3-11-19-15/h3-11H,2,12H2,1H3
InChIKeyGCDLRDSGWGLNAI-UHFFFAOYSA-N
XLogP4.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole (CID 116621535) is 1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole is CCc1ccc(Cn2ccnc2-c2cccs2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole?
The InChIKey is GCDLRDSGWGLNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-2-13-5-7-14(8-6-13)12-18-10-9-17-16(18)15-4-3-11-19-15/h3-11H,2,12H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole?
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole has a molecular weight of 268.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole is sourced from PubChem (CID 116621535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).