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

C15H11N3OS — CID 91116024

IUPAC4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
SMILESc1c[nH]c(-n2cnc(-c3ccco3)c2-c2cccs2)c1
InChIInChI=1S/C15H11N3OS/c1-6-13(16-7-1)18-10-17-14(11-4-2-8-19-11)15(18)12-5-3-9-20-12/h1-10,16H
InChIKeyCDTDIFDHSPMBPG-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.19
Rot. Bonds3

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

4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole (PubChem CID 91116024) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole.

Molecular Properties

Compound Name4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
PubChem CID91116024
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
SMILESc1c[nH]c(-n2cnc(-c3ccco3)c2-c2cccs2)c1
InChIInChI=1S/C15H11N3OS/c1-6-13(16-7-1)18-10-17-14(11-4-2-8-19-11)15(18)12-5-3-9-20-12/h1-10,16H
InChIKeyCDTDIFDHSPMBPG-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 4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole?
The IUPAC name of 4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole (CID 91116024) is 4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole.
What is the SMILES notation for 4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole?
The canonical SMILES for 4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole is c1c[nH]c(-n2cnc(-c3ccco3)c2-c2cccs2)c1.
What is the InChIKey of 4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole?
The InChIKey is CDTDIFDHSPMBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-6-13(16-7-1)18-10-17-14(11-4-2-8-19-11)15(18)12-5-3-9-20-12/h1-10,16H.
What are the key properties of 4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole?
4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-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 4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole is sourced from PubChem (CID 91116024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).