5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole

C15H14N2S — CID 70288831

IUPAC5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole
SMILESCc1cncn1Cc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C15H14N2S/c1-12-8-16-11-17(12)9-13-2-4-14(5-3-13)15-6-7-18-10-15/h2-8,10-11H,9H2,1H3
InChIKeyYXUOYXKKWKKWLV-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.97
Rot. Bonds3

About 5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole

5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole (PubChem CID 70288831) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole.

Molecular Properties

Compound Name5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole
PubChem CID70288831
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole
SMILESCc1cncn1Cc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C15H14N2S/c1-12-8-16-11-17(12)9-13-2-4-14(5-3-13)15-6-7-18-10-15/h2-8,10-11H,9H2,1H3
InChIKeyYXUOYXKKWKKWLV-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 5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole?
The IUPAC name of 5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole (CID 70288831) is 5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole.
What is the SMILES notation for 5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole?
The canonical SMILES for 5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole is Cc1cncn1Cc1ccc(-c2ccsc2)cc1.
What is the InChIKey of 5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole?
The InChIKey is YXUOYXKKWKKWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-12-8-16-11-17(12)9-13-2-4-14(5-3-13)15-6-7-18-10-15/h2-8,10-11H,9H2,1H3.
What are the key properties of 5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole?
5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole 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 5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole is sourced from PubChem (CID 70288831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).