2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole

C19H17FN2S — CID 59715249

IUPAC2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(C2=NCCN2)c1CCc1ccc2ccsc2c1
InChIInChI=1S/C19H17FN2S/c20-17-3-1-2-16(19-21-9-10-22-19)15(17)7-5-13-4-6-14-8-11-23-18(14)12-13/h1-4,6,8,11-12H,5,7,9-10H2,(H,21,22)
InChIKeyXMPAYQNTKGBZEB-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.18
Rot. Bonds4

About 2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole

2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole (PubChem CID 59715249) has the molecular formula C19H17FN2S and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
PubChem CID59715249
Molecular FormulaC19H17FN2S
Molecular Weight324.42 g/mol
Exact Mass324.11
IUPAC Name2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(C2=NCCN2)c1CCc1ccc2ccsc2c1
InChIInChI=1S/C19H17FN2S/c20-17-3-1-2-16(19-21-9-10-22-19)15(17)7-5-13-4-6-14-8-11-23-18(14)12-13/h1-4,6,8,11-12H,5,7,9-10H2,(H,21,22)
InChIKeyXMPAYQNTKGBZEB-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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Related Compounds

4,4-bis(4-fluorophenyl)-2-(thiophen-2-yl)-4,5-dihydro-1H-imidazole
CID 9902517
4,4-bis(4-fluorophenyl)-2-(thiophen-3-yl)-4,5-dihydro-1H-imidazole
CID 9967784
1H-Imidazole, 4,5-dihydro-2-(4-(6-(4,5-dihydro-1H-imidazol-2-yl)benzo(b)thien-2-yl)phenyl)-
CID 206023
1H-Imidazole, 4,5-dihydro-2-(4-(5-(4,5-dihydro-1H-imidazol-2-yl)benzo(b)thien-2-yl)phenyl)-
CID 439132
2-[8-(4,5-dihydro-1H-imidazol-2-yl)dibenzothiophen-2-yl]-4,5-dihydro-1H-imidazole
CID 464124
2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole
CID 5478798
4-[5-(4,5-dihydro-1H-imidazol-2-yl)benzothiophen-2-yl]benzamidine
CID 3010571
2-[4-[6-(1,4,5,6-Tetrahydropyrimidin-2-yl)-1-benzothiophen-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 45140007
2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 45262620
2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole
CID 90655713
(4r,5r)-4,5-Diphenyl-2-(thiophen-3-yl)-4,5-dihydro-1h-imidazole
CID 132493809
2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole
CID 10286401

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole (CID 59715249) is 2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole is Fc1cccc(C2=NCCN2)c1CCc1ccc2ccsc2c1.
What is the InChIKey of 2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is XMPAYQNTKGBZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2S/c20-17-3-1-2-16(19-21-9-10-22-19)15(17)7-5-13-4-6-14-8-11-23-18(14)12-13/h1-4,6,8,11-12H,5,7,9-10H2,(H,21,22).
What are the key properties of 2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole?
2-[2-[2-(1-benzothiophen-6-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-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59715249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).