ethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate

C26H22Cl2N2O4S — CID 4314290

IUPACethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(S(=O)(=O)Cc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H22Cl2N2O4S/c1-2-34-23(31)16-30-25(19-12-7-4-8-13-19)24(18-10-5-3-6-11-18)29-26(30)35(32,33)17-20-21(27)14-9-15-22(20)28/h3-15H,2,16-17H2,1H3
InChIKeyGLNROXRNONKDBK-UHFFFAOYSA-N
MW529.45 g/mol
LogP6.06
Rot. Bonds8

About ethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate

ethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate (PubChem CID 4314290) has the molecular formula C26H22Cl2N2O4S and a molecular weight of 529.45 g/mol. Its IUPAC name is ethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate
PubChem CID4314290
Molecular FormulaC26H22Cl2N2O4S
Molecular Weight529.45 g/mol
Exact Mass528.07
IUPAC Nameethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(S(=O)(=O)Cc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H22Cl2N2O4S/c1-2-34-23(31)16-30-25(19-12-7-4-8-13-19)24(18-10-5-3-6-11-18)29-26(30)35(32,33)17-20-21(27)14-9-15-22(20)28/h3-15H,2,16-17H2,1H3
InChIKeyGLNROXRNONKDBK-UHFFFAOYSA-N
XLogP6.06
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate
CID 2816996
ethyl 2-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenylimidazol-1-yl]acetate
CID 4265892
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121
ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate
CID 3271634
ethyl 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanoate
CID 59926126
ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate
CID 59813948
ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate
CID 102307382
ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate
CID 17000863
ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
CID 23794369
ethyl 2-[(2,6-dichlorophenyl)methylsulfanyl]acetate
CID 3462065
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetate
CID 56633212

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate (CID 4314290) is ethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate is CCOC(=O)Cn1c(S(=O)(=O)Cc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate?
The InChIKey is GLNROXRNONKDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2O4S/c1-2-34-23(31)16-30-25(19-12-7-4-8-13-19)24(18-10-5-3-6-11-18)29-26(30)35(32,33)17-20-21(27)14-9-15-22(20)28/h3-15H,2,16-17H2,1H3.
What are the key properties of ethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate?
ethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate has a molecular weight of 529.45 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2,6-dichlorophenyl)methylsulfonyl]-4,5-diphenylimidazol-1-yl]acetate is sourced from PubChem (CID 4314290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).