2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole

C19H14N2OS — CID 91423614

IUPAC2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole
SMILESc1ccc(Oc2ccc(-c3cccs3)c(-c3ncc[nH]3)c2)cc1
InChIInChI=1S/C19H14N2OS/c1-2-5-14(6-3-1)22-15-8-9-16(18-7-4-12-23-18)17(13-15)19-20-10-11-21-19/h1-13H,(H,20,21)
InChIKeyBADXCEXWODCWOK-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.60
Rot. Bonds4

About 2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole

2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole (PubChem CID 91423614) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole
PubChem CID91423614
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole
SMILESc1ccc(Oc2ccc(-c3cccs3)c(-c3ncc[nH]3)c2)cc1
InChIInChI=1S/C19H14N2OS/c1-2-5-14(6-3-1)22-15-8-9-16(18-7-4-12-23-18)17(13-15)19-20-10-11-21-19/h1-13H,(H,20,21)
InChIKeyBADXCEXWODCWOK-UHFFFAOYSA-N
XLogP5.60
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methyl-4-(4-phenoxyphenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 4849108
2-(1H-imidazol-2-yl)phenolate
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2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
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2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole
CID 91127273
4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081352
2-thiophen-2-ylthiophene;triazine
CID 175444863
ethane;2-phenyl-1H-imidazole
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CID 167430627

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole?
The IUPAC name of 2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole (CID 91423614) is 2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole.
What is the SMILES notation for 2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole?
The canonical SMILES for 2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole is c1ccc(Oc2ccc(-c3cccs3)c(-c3ncc[nH]3)c2)cc1.
What is the InChIKey of 2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole?
The InChIKey is BADXCEXWODCWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-2-5-14(6-3-1)22-15-8-9-16(18-7-4-12-23-18)17(13-15)19-20-10-11-21-19/h1-13H,(H,20,21).
What are the key properties of 2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole?
2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole has a molecular weight of 318.40 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole is sourced from PubChem (CID 91423614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).