[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone

C15H13FN2OS2 — CID 4685877

IUPAC[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN=C1SCc1ccccc1F
InChIInChI=1S/C15H13FN2OS2/c16-12-5-2-1-4-11(12)10-21-15-17-7-8-18(15)14(19)13-6-3-9-20-13/h1-6,9H,7-8,10H2
InChIKeyIBMGYALXGPQPMF-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.63
Rot. Bonds3

About [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone

[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone (PubChem CID 4685877) has the molecular formula C15H13FN2OS2 and a molecular weight of 320.41 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
PubChem CID4685877
Molecular FormulaC15H13FN2OS2
Molecular Weight320.41 g/mol
Exact Mass320.05
IUPAC Name[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN=C1SCc1ccccc1F
InChIInChI=1S/C15H13FN2OS2/c16-12-5-2-1-4-11(12)10-21-15-17-7-8-18(15)14(19)13-6-3-9-20-13/h1-6,9H,7-8,10H2
InChIKeyIBMGYALXGPQPMF-UHFFFAOYSA-N
XLogP3.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide
CID 2813034
(2-((4-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 3422062
1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 5055867
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 1244199
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 3243391
(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 4295478
[2-[(4-Chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
CID 4351492
[2-[(2,5-Dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
CID 5056653
2-fluoro-N-{2-[(thiophen-2-ylmethyl)amino]ethyl}benzamide
CID 3156882
1-[2-[(4-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 4581954

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone (CID 4685877) is [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN=C1SCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is IBMGYALXGPQPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS2/c16-12-5-2-1-4-11(12)10-21-15-17-7-8-18(15)14(19)13-6-3-9-20-13/h1-6,9H,7-8,10H2.
What are the key properties of [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 320.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 4685877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).