1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone

C22H19ClN2OS — CID 3415570

IUPAC1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCN=C1SCc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2OS/c23-19-10-8-16(9-11-19)15-27-22-24-12-13-25(22)21(26)14-18-6-3-5-17-4-1-2-7-20(17)18/h1-11H,12-15H2
InChIKeyGTHPSFHBXVKTNW-UHFFFAOYSA-N
MW394.93 g/mol
LogP5.17
Rot. Bonds4

About 1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone

1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone (PubChem CID 3415570) has the molecular formula C22H19ClN2OS and a molecular weight of 394.93 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone
PubChem CID3415570
Molecular FormulaC22H19ClN2OS
Molecular Weight394.93 g/mol
Exact Mass394.09
IUPAC Name1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCN=C1SCc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2OS/c23-19-10-8-16(9-11-19)15-27-22-24-12-13-25(22)21(26)14-18-6-3-5-17-4-1-2-7-20(17)18/h1-11H,12-15H2
InChIKeyGTHPSFHBXVKTNW-UHFFFAOYSA-N
XLogP5.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.93
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4246907
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-naphthalen-1-ylmethanone
CID 4208332
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-fluorophenyl)ethanone
CID 3669097
[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3-fluorophenyl)methanone
CID 5236621
(4-chlorophenyl)-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5076105
2-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4256420
1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(3-methylphenyl)ethanone
CID 3412003
(4-chlorophenyl)-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4109173
1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one
CID 4624439
1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-phenylphenyl)ethanone
CID 4095625
2-(4-chlorophenoxy)-1-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 5173585
[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3-chlorophenyl)methanone
CID 4190547

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone?
The IUPAC name of 1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone (CID 3415570) is 1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone is O=C(Cc1cccc2ccccc12)N1CCN=C1SCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone?
The InChIKey is GTHPSFHBXVKTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2OS/c23-19-10-8-16(9-11-19)15-27-22-24-12-13-25(22)21(26)14-18-6-3-5-17-4-1-2-7-20(17)18/h1-11H,12-15H2.
What are the key properties of 1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone?
1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone has a molecular weight of 394.93 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone is sourced from PubChem (CID 3415570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).