1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole

C15H11N3OS — CID 54189058

IUPAC1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
SMILESc1c[nH]c(-c2c(-c3cccs3)ncn2-c2ccco2)c1
InChIInChI=1S/C15H11N3OS/c1-4-11(16-7-1)15-14(12-5-3-9-20-12)17-10-18(15)13-6-2-8-19-13/h1-10,16H
InChIKeyXGMWGTWPTUKBHR-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.19
Rot. Bonds3

About 1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole

1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole (PubChem CID 54189058) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
PubChem CID54189058
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
SMILESc1c[nH]c(-c2c(-c3cccs3)ncn2-c2ccco2)c1
InChIInChI=1S/C15H11N3OS/c1-4-11(16-7-1)15-14(12-5-3-9-20-12)17-10-18(15)13-6-2-8-19-13/h1-10,16H
InChIKeyXGMWGTWPTUKBHR-UHFFFAOYSA-N
XLogP4.19
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole?
The IUPAC name of 1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole (CID 54189058) is 1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole.
What is the SMILES notation for 1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole?
The canonical SMILES for 1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole is c1c[nH]c(-c2c(-c3cccs3)ncn2-c2ccco2)c1.
What is the InChIKey of 1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole?
The InChIKey is XGMWGTWPTUKBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-4-11(16-7-1)15-14(12-5-3-9-20-12)17-10-18(15)13-6-2-8-19-13/h1-10,16H.
What are the key properties of 1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole?
1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole has a molecular weight of 281.34 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole is sourced from PubChem (CID 54189058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).