2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole

C15H15FN2S — CID 86009528

IUPAC2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(C2=NCCN2)c1CCc1ccsc1
InChIInChI=1S/C15H15FN2S/c16-14-3-1-2-13(15-17-7-8-18-15)12(14)5-4-11-6-9-19-10-11/h1-3,6,9-10H,4-5,7-8H2,(H,17,18)
InChIKeyOZFZYJQDDYBBLF-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.02
Rot. Bonds4

About 2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole

2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 86009528) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID86009528
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(C2=NCCN2)c1CCc1ccsc1
InChIInChI=1S/C15H15FN2S/c16-14-3-1-2-13(15-17-7-8-18-15)12(14)5-4-11-6-9-19-10-11/h1-3,6,9-10H,4-5,7-8H2,(H,17,18)
InChIKeyOZFZYJQDDYBBLF-UHFFFAOYSA-N
XLogP3.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.02
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
4,5-dihydro-2-(3-methyl-2-thienyl)-1H-imidazole
CID 14964720
2-[2-(2-Thiophen-3-yl-phenyl)-ethyl]-4,5-dihydro-1H-imidazole
CID 25034503
2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole
CID 122179423
5-Thiophen-2-yl-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10060780
N-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
CID 12280934
N-[phenyl(thiophen-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 12280936
N-[phenyl(thiophen-2-yl)methyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride
CID 12280938
N-[phenyl(thiophen-2-yl)methyl]-1-azacyclotridecen-2-amine;hydrochloride
CID 12280940
2-(5-phenylthiophen-2-yl)-4,5-dihydro-1H-imidazole
CID 16082799
2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 45262620

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole (CID 86009528) is 2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole is Fc1cccc(C2=NCCN2)c1CCc1ccsc1.
What is the InChIKey of 2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is OZFZYJQDDYBBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2S/c16-14-3-1-2-13(15-17-7-8-18-15)12(14)5-4-11-6-9-19-10-11/h1-3,6,9-10H,4-5,7-8H2,(H,17,18).
What are the key properties of 2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole?
2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 274.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(2-thiophen-3-ylethyl)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 86009528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).