2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole

C19H17FN2S — CID 11623995

IUPAC2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(C2=NCCN2)c1CCc1cccc2ccsc12
InChIInChI=1S/C19H17FN2S/c20-17-6-2-5-16(19-21-10-11-22-19)15(17)8-7-13-3-1-4-14-9-12-23-18(13)14/h1-6,9,12H,7-8,10-11H2,(H,21,22)
InChIKeyOBRIPNPVNSNRJT-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.18
Rot. Bonds4

About 2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole

2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole (PubChem CID 11623995) has the molecular formula C19H17FN2S and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
PubChem CID11623995
Molecular FormulaC19H17FN2S
Molecular Weight324.42 g/mol
Exact Mass324.11
IUPAC Name2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(C2=NCCN2)c1CCc1cccc2ccsc12
InChIInChI=1S/C19H17FN2S/c20-17-6-2-5-16(19-21-10-11-22-19)15(17)8-7-13-3-1-4-14-9-12-23-18(13)14/h1-6,9,12H,7-8,10-11H2,(H,21,22)
InChIKeyOBRIPNPVNSNRJT-UHFFFAOYSA-N
XLogP4.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole (CID 11623995) is 2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole is Fc1cccc(C2=NCCN2)c1CCc1cccc2ccsc12.
What is the InChIKey of 2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is OBRIPNPVNSNRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2S/c20-17-6-2-5-16(19-21-10-11-22-19)15(17)8-7-13-3-1-4-14-9-12-23-18(13)14/h1-6,9,12H,7-8,10-11H2,(H,21,22).
What are the key properties of 2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole?
2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 324.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11623995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).