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

C19H19ClN2OS — CID 3450650

IUPAC2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCc1ccccc1CSC1=NCCN1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2OS/c1-14-4-2-3-5-16(14)13-24-19-21-10-11-22(19)18(23)12-15-6-8-17(20)9-7-15/h2-9H,10-13H2,1H3
InChIKeyVYRXRAZPOFDDPO-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.32
Rot. Bonds4

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

2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 3450650) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID3450650
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCc1ccccc1CSC1=NCCN1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2OS/c1-14-4-2-3-5-16(14)13-24-19-21-10-11-22(19)18(23)12-15-6-8-17(20)9-7-15/h2-9H,10-13H2,1H3
InChIKeyVYRXRAZPOFDDPO-UHFFFAOYSA-N
XLogP4.32
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (CID 3450650) is 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is Cc1ccccc1CSC1=NCCN1C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is VYRXRAZPOFDDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c1-14-4-2-3-5-16(14)13-24-19-21-10-11-22(19)18(23)12-15-6-8-17(20)9-7-15/h2-9H,10-13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 358.89 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 3450650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).