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

C22H27FN2OS — CID 175447244

IUPAC1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole
SMILESCOCCc1c(-c2ccc(Cn3ccnc3C)c(F)c2)csc1CC(C)C
InChIInChI=1S/C22H27FN2OS/c1-15(2)11-22-19(7-10-26-4)20(14-27-22)17-5-6-18(21(23)12-17)13-25-9-8-24-16(25)3/h5-6,8-9,12,14-15H,7,10-11,13H2,1-4H3
InChIKeyHLUAEMIOMJNDJL-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.49
Rot. Bonds8

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

1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole (PubChem CID 175447244) has the molecular formula C22H27FN2OS and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole
PubChem CID175447244
Molecular FormulaC22H27FN2OS
Molecular Weight386.54 g/mol
Exact Mass386.18
IUPAC Name1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole
SMILESCOCCc1c(-c2ccc(Cn3ccnc3C)c(F)c2)csc1CC(C)C
InChIInChI=1S/C22H27FN2OS/c1-15(2)11-22-19(7-10-26-4)20(14-27-22)17-5-6-18(21(23)12-17)13-25-9-8-24-16(25)3/h5-6,8-9,12,14-15H,7,10-11,13H2,1-4H3
InChIKeyHLUAEMIOMJNDJL-UHFFFAOYSA-N
XLogP5.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole?
The IUPAC name of 1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole (CID 175447244) is 1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole.
What is the SMILES notation for 1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole?
The canonical SMILES for 1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole is COCCc1c(-c2ccc(Cn3ccnc3C)c(F)c2)csc1CC(C)C.
What is the InChIKey of 1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole?
The InChIKey is HLUAEMIOMJNDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2OS/c1-15(2)11-22-19(7-10-26-4)20(14-27-22)17-5-6-18(21(23)12-17)13-25-9-8-24-16(25)3/h5-6,8-9,12,14-15H,7,10-11,13H2,1-4H3.
What are the key properties of 1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole?
1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole has a molecular weight of 386.54 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole is sourced from PubChem (CID 175447244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).