1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole

C21H16ClFN2S — CID 11417701

IUPAC1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole
SMILESCc1ccc(F)cc1Cc1nc(-c2cccs2)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClFN2S/c1-14-4-7-17(23)11-15(14)12-21-24-19(20-3-2-10-26-20)13-25(21)18-8-5-16(22)6-9-18/h2-11,13H,12H2,1H3
InChIKeyMJOVRNIJCQDVRG-UHFFFAOYSA-N
MW382.89 g/mol
LogP6.29
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole

1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole (PubChem CID 11417701) has the molecular formula C21H16ClFN2S and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole
PubChem CID11417701
Molecular FormulaC21H16ClFN2S
Molecular Weight382.89 g/mol
Exact Mass382.07
IUPAC Name1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole
SMILESCc1ccc(F)cc1Cc1nc(-c2cccs2)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClFN2S/c1-14-4-7-17(23)11-15(14)12-21-24-19(20-3-2-10-26-20)13-25(21)18-8-5-16(22)6-9-18/h2-11,13H,12H2,1H3
InChIKeyMJOVRNIJCQDVRG-UHFFFAOYSA-N
XLogP6.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole?
The IUPAC name of 1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole (CID 11417701) is 1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole is Cc1ccc(F)cc1Cc1nc(-c2cccs2)cn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole?
The InChIKey is MJOVRNIJCQDVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2S/c1-14-4-7-17(23)11-15(14)12-21-24-19(20-3-2-10-26-20)13-25(21)18-8-5-16(22)6-9-18/h2-11,13H,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole?
1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole has a molecular weight of 382.89 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole is sourced from PubChem (CID 11417701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).