1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole

C15H14N2S — CID 6539905

IUPAC1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole
SMILESCc1ccc(Cn2cnc(-c3ccsc3)c2)cc1
InChIInChI=1S/C15H14N2S/c1-12-2-4-13(5-3-12)8-17-9-15(16-11-17)14-6-7-18-10-14/h2-7,9-11H,8H2,1H3
InChIKeyDHBTWCAOUVLMCW-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.97
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole

1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole (PubChem CID 6539905) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole
PubChem CID6539905
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole
SMILESCc1ccc(Cn2cnc(-c3ccsc3)c2)cc1
InChIInChI=1S/C15H14N2S/c1-12-2-4-13(5-3-12)8-17-9-15(16-11-17)14-6-7-18-10-14/h2-7,9-11H,8H2,1H3
InChIKeyDHBTWCAOUVLMCW-UHFFFAOYSA-N
XLogP3.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole (CID 6539905) is 1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole is Cc1ccc(Cn2cnc(-c3ccsc3)c2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole?
The InChIKey is DHBTWCAOUVLMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-12-2-4-13(5-3-12)8-17-9-15(16-11-17)14-6-7-18-10-14/h2-7,9-11H,8H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole?
1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole has a molecular weight of 254.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4-thiophen-3-ylimidazole is sourced from PubChem (CID 6539905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).