2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole

C17H12ClFN2S — CID 10286601

IUPAC2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc2sc(-c3ccccc3Cl)c(C3=NCCN3)c2c1
InChIInChI=1S/C17H12ClFN2S/c18-13-4-2-1-3-11(13)16-15(17-20-7-8-21-17)12-9-10(19)5-6-14(12)22-16/h1-6,9H,7-8H2,(H,20,21)
InChIKeyXXYUUOYSYKEQJZ-UHFFFAOYSA-N
MW330.81 g/mol
LogP4.71
Rot. Bonds2

About 2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole

2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole (PubChem CID 10286601) has the molecular formula C17H12ClFN2S and a molecular weight of 330.81 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole
PubChem CID10286601
Molecular FormulaC17H12ClFN2S
Molecular Weight330.81 g/mol
Exact Mass330.04
IUPAC Name2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc2sc(-c3ccccc3Cl)c(C3=NCCN3)c2c1
InChIInChI=1S/C17H12ClFN2S/c18-13-4-2-1-3-11(13)16-15(17-20-7-8-21-17)12-9-10(19)5-6-14(12)22-16/h1-6,9H,7-8H2,(H,20,21)
InChIKeyXXYUUOYSYKEQJZ-UHFFFAOYSA-N
XLogP4.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 45262620
2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole
CID 10286401
3-[5-(5-Chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
CID 10293229
2-[2-[2-(1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
CID 11623995
2-(5-Fluoro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole
CID 17780337
2-[3-chloro-6-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide
CID 17780347
2-[3-chloro-6-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole
CID 17780348
2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)-4,5-dihydro-1H-imidazole
CID 17780389
2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole
CID 22744773
2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole
CID 53816565
2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide
CID 57447498
2-[2-[2-(1-benzothiophen-6-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
CID 59715249

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole (CID 10286601) is 2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole is Fc1ccc2sc(-c3ccccc3Cl)c(C3=NCCN3)c2c1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is XXYUUOYSYKEQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2S/c18-13-4-2-1-3-11(13)16-15(17-20-7-8-21-17)12-9-10(19)5-6-14(12)22-16/h1-6,9H,7-8H2,(H,20,21).
What are the key properties of 2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole?
2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 330.81 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10286601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).