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

C15H14N2OS — CID 6539903

IUPAC1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole
SMILESCOc1ccc(Cn2cnc(-c3ccsc3)c2)cc1
InChIInChI=1S/C15H14N2OS/c1-18-14-4-2-12(3-5-14)8-17-9-15(16-11-17)13-6-7-19-10-13/h2-7,9-11H,8H2,1H3
InChIKeyQYDUUGDHAIAMCD-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.67
Rot. Bonds4

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

1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole (PubChem CID 6539903) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole
PubChem CID6539903
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole
SMILESCOc1ccc(Cn2cnc(-c3ccsc3)c2)cc1
InChIInChI=1S/C15H14N2OS/c1-18-14-4-2-12(3-5-14)8-17-9-15(16-11-17)13-6-7-19-10-13/h2-7,9-11H,8H2,1H3
InChIKeyQYDUUGDHAIAMCD-UHFFFAOYSA-N
XLogP3.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole (CID 6539903) is 1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole is COc1ccc(Cn2cnc(-c3ccsc3)c2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole?
The InChIKey is QYDUUGDHAIAMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-14-4-2-12(3-5-14)8-17-9-15(16-11-17)13-6-7-19-10-13/h2-7,9-11H,8H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole?
1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole has a molecular weight of 270.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-thiophen-3-ylimidazole is sourced from PubChem (CID 6539903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).