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

C₁₈H₁₃N₅OS — CID 141214135

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

1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole (PubChem CID 141214135) has the molecular formula C₁₈H₁₃N₅OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole.

Molecular Properties

• Compound Name: 1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
• PubChem CID: 141214135
• Molecular Formula: C₁₈H₁₃N₅OS
• Molecular Weight: 347.40 g/mol
• Exact Mass: 347.08
• IUPAC Name: 1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
• SMILES: c1c[nH]c(-c2c(-c3cccs3)nc(-c3ccn[nH]3)n2-c2ccco2)c1
• InChI: InChI=1S/C18H13N5OS/c1-4-12(19-8-1)17-16(14-5-3-11-25-14)21-18(13-7-9-20-22-13)23(17)15-6-2-10-24-15/h1-11,19H,(H,20,22)
• InChIKey: GSMYWOSJFCAFGF-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 75.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.40
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole?

The IUPAC name of 1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole (CID 141214135) is 1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole.

What is the SMILES notation for 1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole?

The canonical SMILES for 1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole is c1c[nH]c(-c2c(-c3cccs3)nc(-c3ccn[nH]3)n2-c2ccco2)c1.

What is the InChIKey of 1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole?

The InChIKey is GSMYWOSJFCAFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c1-4-12(19-8-1)17-16(14-5-3-11-25-14)21-18(13-7-9-20-22-13)23(17)15-6-2-10-24-15/h1-11,19H,(H,20,22).

What are the key properties of 1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole?

1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole has a molecular weight of 347.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole is sourced from PubChem (CID 141214135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141214135 — identifiers, structure, computed properties (public domain)

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