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

C19H21FN2S — CID 164852102

IUPAC1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole
SMILESCc1nccn1Cc1ccc(-c2csc(CC(C)C)c2)cc1F
InChIInChI=1S/C19H21FN2S/c1-13(2)8-18-9-17(12-23-18)15-4-5-16(19(20)10-15)11-22-7-6-21-14(22)3/h4-7,9-10,12-13H,8,11H2,1-3H3
InChIKeyNVEMWIKETMVKTL-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.31
Rot. Bonds5

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

1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole (PubChem CID 164852102) has the molecular formula C19H21FN2S and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole
PubChem CID164852102
Molecular FormulaC19H21FN2S
Molecular Weight328.46 g/mol
Exact Mass328.14
IUPAC Name1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole
SMILESCc1nccn1Cc1ccc(-c2csc(CC(C)C)c2)cc1F
InChIInChI=1S/C19H21FN2S/c1-13(2)8-18-9-17(12-23-18)15-4-5-16(19(20)10-15)11-22-7-6-21-14(22)3/h4-7,9-10,12-13H,8,11H2,1-3H3
InChIKeyNVEMWIKETMVKTL-UHFFFAOYSA-N
XLogP5.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole?
The IUPAC name of 1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole (CID 164852102) is 1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole.
What is the SMILES notation for 1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole?
The canonical SMILES for 1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole is Cc1nccn1Cc1ccc(-c2csc(CC(C)C)c2)cc1F.
What is the InChIKey of 1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole?
The InChIKey is NVEMWIKETMVKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2S/c1-13(2)8-18-9-17(12-23-18)15-4-5-16(19(20)10-15)11-22-7-6-21-14(22)3/h4-7,9-10,12-13H,8,11H2,1-3H3.
What are the key properties of 1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole?
1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole has a molecular weight of 328.46 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole is sourced from PubChem (CID 164852102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).