1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole

C34H25N5OS — CID 141284664

IUPAC1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
SMILESc1ccc(N2C(c3ccc[nH]3)=C(c3cccs3)N(c3ccco3)C2(c2ccn[nH]2)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H25N5OS/c1-2-12-25(13-3-1)38-32(28-16-7-20-35-28)33(29-17-9-23-41-29)39(31-18-8-22-40-31)34(38,30-19-21-36-37-30)27-15-6-11-24-10-4-5-14-26(24)27/h1-23,35H,(H,36,37)
InChIKeyVQINXVDWEZEMGR-UHFFFAOYSA-N
MW551.68 g/mol
LogP8.30
Rot. Bonds6

About 1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole

1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole (PubChem CID 141284664) has the molecular formula C34H25N5OS and a molecular weight of 551.68 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
PubChem CID141284664
Molecular FormulaC34H25N5OS
Molecular Weight551.68 g/mol
Exact Mass551.18
IUPAC Name1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
SMILESc1ccc(N2C(c3ccc[nH]3)=C(c3cccs3)N(c3ccco3)C2(c2ccn[nH]2)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H25N5OS/c1-2-12-25(13-3-1)38-32(28-16-7-20-35-28)33(29-17-9-23-41-29)39(31-18-8-22-40-31)34(38,30-19-21-36-37-30)27-15-6-11-24-10-4-5-14-26(24)27/h1-23,35H,(H,36,37)
InChIKeyVQINXVDWEZEMGR-UHFFFAOYSA-N
XLogP8.30
TPSA64.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.68
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-1H-azepine
CID 140991639
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1-naphthalen-1-yl-1-phenyl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole
CID 141006443
2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine
CID 141196716
2-[1-(furan-2-yl)-4-naphthalen-1-yl-5-(2H-pyran-2-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]pyrazine
CID 141196746
2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine
CID 141203638
2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine
CID 141206086
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 141279407
1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine
CID 141284667

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole?
The IUPAC name of 1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole (CID 141284664) is 1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole.
What is the SMILES notation for 1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole?
The canonical SMILES for 1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole is c1ccc(N2C(c3ccc[nH]3)=C(c3cccs3)N(c3ccco3)C2(c2ccn[nH]2)c2cccc3ccccc23)cc1.
What is the InChIKey of 1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole?
The InChIKey is VQINXVDWEZEMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N5OS/c1-2-12-25(13-3-1)38-32(28-16-7-20-35-28)33(29-17-9-23-41-29)39(31-18-8-22-40-31)34(38,30-19-21-36-37-30)27-15-6-11-24-10-4-5-14-26(24)27/h1-23,35H,(H,36,37).
What are the key properties of 1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole?
1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole has a molecular weight of 551.68 g/mol, XLogP of 8.30, 6 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-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole is sourced from PubChem (CID 141284664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).