2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole

C20H23FN2S — CID 164852101

IUPAC2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole
SMILESCCc1nccn1Cc1ccc(-c2csc(CC(C)C)c2)cc1F
InChIInChI=1S/C20H23FN2S/c1-4-20-22-7-8-23(20)12-16-6-5-15(11-19(16)21)17-10-18(24-13-17)9-14(2)3/h5-8,10-11,13-14H,4,9,12H2,1-3H3
InChIKeyAQTGDJGZYJFHFU-UHFFFAOYSA-N
MW342.48 g/mol
LogP5.56
Rot. Bonds6

About 2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole

2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole (PubChem CID 164852101) has the molecular formula C20H23FN2S and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole.

Molecular Properties

Compound Name2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole
PubChem CID164852101
Molecular FormulaC20H23FN2S
Molecular Weight342.48 g/mol
Exact Mass342.16
IUPAC Name2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole
SMILESCCc1nccn1Cc1ccc(-c2csc(CC(C)C)c2)cc1F
InChIInChI=1S/C20H23FN2S/c1-4-20-22-7-8-23(20)12-16-6-5-15(11-19(16)21)17-10-18(24-13-17)9-14(2)3/h5-8,10-11,13-14H,4,9,12H2,1-3H3
InChIKeyAQTGDJGZYJFHFU-UHFFFAOYSA-N
XLogP5.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole?
The IUPAC name of 2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole (CID 164852101) is 2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole.
What is the SMILES notation for 2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole?
The canonical SMILES for 2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole is CCc1nccn1Cc1ccc(-c2csc(CC(C)C)c2)cc1F.
What is the InChIKey of 2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole?
The InChIKey is AQTGDJGZYJFHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2S/c1-4-20-22-7-8-23(20)12-16-6-5-15(11-19(16)21)17-10-18(24-13-17)9-14(2)3/h5-8,10-11,13-14H,4,9,12H2,1-3H3.
What are the key properties of 2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole?
2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole has a molecular weight of 342.48 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole is sourced from PubChem (CID 164852101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).