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

C18H16Cl2N2O2S — CID 4156093

IUPAC[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H16Cl2N2O2S/c1-24-15-6-3-12(4-7-15)17(23)22-9-8-21-18(22)25-11-13-2-5-14(19)10-16(13)20/h2-7,10H,8-9,11H2,1H3
InChIKeyMTTJBXPOAWGKNO-UHFFFAOYSA-N
MW395.31 g/mol
LogP4.75
Rot. Bonds4

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

[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 4156093) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone
PubChem CID4156093
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC Name[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H16Cl2N2O2S/c1-24-15-6-3-12(4-7-15)17(23)22-9-8-21-18(22)25-11-13-2-5-14(19)10-16(13)20/h2-7,10H,8-9,11H2,1H3
InChIKeyMTTJBXPOAWGKNO-UHFFFAOYSA-N
XLogP4.75
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-fluorophenyl)methanone
CID 4197618
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 4585998
(2,5-dichlorophenyl)-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4641018
2-chloro-1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4176375
(4-chlorophenyl)-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5076105
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-naphthalen-1-ylmethanone
CID 4208332
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
CID 4675099
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 3568673
[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 4092743
1,3-benzodioxol-5-yl-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4685876
2-(2,4-dichlorophenoxy)-1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 3678999
2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one
CID 4688052

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone (CID 4156093) is [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is MTTJBXPOAWGKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c1-24-15-6-3-12(4-7-15)17(23)22-9-8-21-18(22)25-11-13-2-5-14(19)10-16(13)20/h2-7,10H,8-9,11H2,1H3.
What are the key properties of [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone?
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 395.31 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 4156093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).