[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone

C17H13Cl2FN2OS — CID 3596113

IUPAC[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN=C1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2FN2OS/c18-13-6-5-11(9-14(13)19)10-24-17-21-7-8-22(17)16(23)12-3-1-2-4-15(12)20/h1-6,9H,7-8,10H2
InChIKeyGLXYAXROLIIAEI-UHFFFAOYSA-N
MW383.28 g/mol
LogP4.88
Rot. Bonds3

About [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone

[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone (PubChem CID 3596113) has the molecular formula C17H13Cl2FN2OS and a molecular weight of 383.28 g/mol. Its IUPAC name is [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone
PubChem CID3596113
Molecular FormulaC17H13Cl2FN2OS
Molecular Weight383.28 g/mol
Exact Mass382.01
IUPAC Name[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN=C1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2FN2OS/c18-13-6-5-11(9-14(13)19)10-24-17-21-7-8-22(17)16(23)12-3-1-2-4-15(12)20/h1-6,9H,7-8,10H2
InChIKeyGLXYAXROLIIAEI-UHFFFAOYSA-N
XLogP4.88
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone (CID 3596113) is [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCN=C1SCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is GLXYAXROLIIAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2OS/c18-13-6-5-11(9-14(13)19)10-24-17-21-7-8-22(17)16(23)12-3-1-2-4-15(12)20/h1-6,9H,7-8,10H2.
What are the key properties of [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone?
[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 383.28 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 3596113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).