1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole

C20H16N2S — CID 6539909

IUPAC1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole
SMILESc1ccc(-c2ccc(Cn3cnc(-c4ccsc4)c3)cc2)cc1
InChIInChI=1S/C20H16N2S/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)12-22-13-20(21-15-22)19-10-11-23-14-19/h1-11,13-15H,12H2
InChIKeyLVMVRNXVOMGHBC-UHFFFAOYSA-N
MW316.43 g/mol
LogP5.33
Rot. Bonds4

About 1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole

1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole (PubChem CID 6539909) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole
PubChem CID6539909
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole
SMILESc1ccc(-c2ccc(Cn3cnc(-c4ccsc4)c3)cc2)cc1
InChIInChI=1S/C20H16N2S/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)12-22-13-20(21-15-22)19-10-11-23-14-19/h1-11,13-15H,12H2
InChIKeyLVMVRNXVOMGHBC-UHFFFAOYSA-N
XLogP5.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole?
The IUPAC name of 1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole (CID 6539909) is 1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole is c1ccc(-c2ccc(Cn3cnc(-c4ccsc4)c3)cc2)cc1.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole?
The InChIKey is LVMVRNXVOMGHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)12-22-13-20(21-15-22)19-10-11-23-14-19/h1-11,13-15H,12H2.
What are the key properties of 1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole?
1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole has a molecular weight of 316.43 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]-4-thiophen-3-ylimidazole is sourced from PubChem (CID 6539909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).