1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone

C18H16ClFN2OS — CID 3412000

IUPAC1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN=C1SCc1cccc(Cl)c1
InChIInChI=1S/C18H16ClFN2OS/c19-15-3-1-2-14(10-15)12-24-18-21-8-9-22(18)17(23)11-13-4-6-16(20)7-5-13/h1-7,10H,8-9,11-12H2
InChIKeyFGHPKDPDQCUCRA-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.15
Rot. Bonds4

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

1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 3412000) has the molecular formula C18H16ClFN2OS and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID3412000
Molecular FormulaC18H16ClFN2OS
Molecular Weight362.86 g/mol
Exact Mass362.07
IUPAC Name1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN=C1SCc1cccc(Cl)c1
InChIInChI=1S/C18H16ClFN2OS/c19-15-3-1-2-14(10-15)12-24-18-21-8-9-22(18)17(23)11-13-4-6-16(20)7-5-13/h1-7,10H,8-9,11-12H2
InChIKeyFGHPKDPDQCUCRA-UHFFFAOYSA-N
XLogP4.15
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone (CID 3412000) is 1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCN=C1SCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is FGHPKDPDQCUCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2OS/c19-15-3-1-2-14(10-15)12-24-18-21-8-9-22(18)17(23)11-13-4-6-16(20)7-5-13/h1-7,10H,8-9,11-12H2.
What are the key properties of 1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone?
1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 362.86 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 3412000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).