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

C20H20Cl2N2O4S — CID 4585998

IUPAC[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C20H20Cl2N2O4S/c1-26-16-8-13(9-17(27-2)18(16)28-3)19(25)24-7-6-23-20(24)29-11-12-4-5-14(21)10-15(12)22/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyLICTVTCWGLMTPH-UHFFFAOYSA-N
MW455.36 g/mol
LogP4.76
Rot. Bonds6

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

[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 4585998) has the molecular formula C20H20Cl2N2O4S and a molecular weight of 455.36 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID4585998
Molecular FormulaC20H20Cl2N2O4S
Molecular Weight455.36 g/mol
Exact Mass454.05
IUPAC Name[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C20H20Cl2N2O4S/c1-26-16-8-13(9-17(27-2)18(16)28-3)19(25)24-7-6-23-20(24)29-11-12-4-5-14(21)10-15(12)22/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyLICTVTCWGLMTPH-UHFFFAOYSA-N
XLogP4.76
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone
CID 4156093
[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 4290659
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-fluorophenyl)methanone
CID 4197618
(2,5-dichlorophenyl)-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4641018
[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 4606261
2-chloro-1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4176375
[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]-naphthalen-1-ylmethanone
CID 4208332
[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 4092743
(4-chlorophenyl)-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5076105
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 3568673
2-(2,4-dichlorophenoxy)-1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 3678999

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 4585998) is [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2Cl)cc(OC)c1OC.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is LICTVTCWGLMTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4S/c1-26-16-8-13(9-17(27-2)18(16)28-3)19(25)24-7-6-23-20(24)29-11-12-4-5-14(21)10-15(12)22/h4-5,8-10H,6-7,11H2,1-3H3.
What are the key properties of [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 455.36 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 4585998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).