methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate

C18H16Cl2N2O4S — CID 3722437

IUPACmethyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(CCS(=O)(=O)c2cc(Cl)ccc2Cl)nc2ccccc21
InChIInChI=1S/C18H16Cl2N2O4S/c1-26-18(23)11-22-15-5-3-2-4-14(15)21-17(22)8-9-27(24,25)16-10-12(19)6-7-13(16)20/h2-7,10H,8-9,11H2,1H3
InChIKeyUCRDGKXJUBOYHV-UHFFFAOYSA-N
MW427.31 g/mol
LogP3.53
Rot. Bonds6

About methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate

methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate (PubChem CID 3722437) has the molecular formula C18H16Cl2N2O4S and a molecular weight of 427.31 g/mol. Its IUPAC name is methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate
PubChem CID3722437
Molecular FormulaC18H16Cl2N2O4S
Molecular Weight427.31 g/mol
Exact Mass426.02
IUPAC Namemethyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(CCS(=O)(=O)c2cc(Cl)ccc2Cl)nc2ccccc21
InChIInChI=1S/C18H16Cl2N2O4S/c1-26-18(23)11-22-15-5-3-2-4-14(15)21-17(22)8-9-27(24,25)16-10-12(19)6-7-13(16)20/h2-7,10H,8-9,11H2,1H3
InChIKeyUCRDGKXJUBOYHV-UHFFFAOYSA-N
XLogP3.53
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995551
methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate
CID 86717115
methyl 2-[2-[2-(2-methylpropanoylamino)ethyl]benzimidazol-1-yl]acetate
CID 16974953
methyl 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]acetate
CID 43659664
methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976330
methyl 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16978586
methyl 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetate
CID 56697290
methyl 2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetate
CID 859540
methyl 2-[2-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]propyl]benzimidazol-1-yl]acetate
CID 16986685
propan-2-yl 2-[2-[2-[(4-chlorobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16977270
methyl 2-[2-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975124
propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
CID 63637880

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate (CID 3722437) is methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate is COC(=O)Cn1c(CCS(=O)(=O)c2cc(Cl)ccc2Cl)nc2ccccc21.
What is the InChIKey of methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate?
The InChIKey is UCRDGKXJUBOYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4S/c1-26-18(23)11-22-15-5-3-2-4-14(15)21-17(22)8-9-27(24,25)16-10-12(19)6-7-13(16)20/h2-7,10H,8-9,11H2,1H3.
What are the key properties of methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate?
methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate has a molecular weight of 427.31 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 3722437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).