2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole

C32H27N5O3S — CID 141305425

About 2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole

2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole (PubChem CID 141305425) has the molecular formula C32H27N5O3S and a molecular weight of 561.67 g/mol. Its IUPAC name is 2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole.

Molecular Properties

• Compound Name: 2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
• PubChem CID: 141305425
• Molecular Formula: C32H27N5O3S
• Molecular Weight: 561.67 g/mol
• Exact Mass: 561.18
• IUPAC Name: 2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
• SMILES: C1=COC(N2C(c3cccs3)=C(c3ccco3)N(c3ccc[nH]3)C2(c2ccn[nH]2)C2C=Cc3ccccc3O2)CC1
• InChI: InChI=1S/C32H27N5O3S/c1-2-9-23-22(8-1)14-15-27(40-23)32(26-16-18-34-35-26)36(28-12-5-17-33-28)30(24-10-6-20-38-24)31(25-11-7-21-41-25)37(32)29-13-3-4-19-39-29/h1-2,4-12,14-21,27,29,33H,3,13H2,(H,34,35)
• InChIKey: ZMHKQXCCYVTEIG-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 82.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.67
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole?

The IUPAC name of 2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole (CID 141305425) is 2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole.

What is the SMILES notation for 2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole?

The canonical SMILES for 2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole is C1=COC(N2C(c3cccs3)=C(c3ccco3)N(c3ccc[nH]3)C2(c2ccn[nH]2)C2C=Cc3ccccc3O2)CC1.

What is the InChIKey of 2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole?

The InChIKey is ZMHKQXCCYVTEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5O3S/c1-2-9-23-22(8-1)14-15-27(40-23)32(26-16-18-34-35-26)36(28-12-5-17-33-28)30(24-10-6-20-38-24)31(25-11-7-21-41-25)37(32)29-13-3-4-19-39-29/h1-2,4-12,14-21,27,29,33H,3,13H2,(H,34,35).

What are the key properties of 2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole?

2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole has a molecular weight of 561.67 g/mol, XLogP of 7.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole is sourced from PubChem (CID 141305425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).