[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate

C20H21Cl2N3O4S — CID 46813897

IUPAC[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate
SMILESCCn1c(COC(=O)Cc2ccc(Cl)cc2Cl)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H21Cl2N3O4S/c1-4-25-18-8-7-15(30(27,28)24(2)3)11-17(18)23-19(25)12-29-20(26)9-13-5-6-14(21)10-16(13)22/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyMJRJUKMHCUPDIQ-UHFFFAOYSA-N
MW470.38 g/mol
LogP3.90
Rot. Bonds7

About [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate

[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate (PubChem CID 46813897) has the molecular formula C20H21Cl2N3O4S and a molecular weight of 470.38 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate
PubChem CID46813897
Molecular FormulaC20H21Cl2N3O4S
Molecular Weight470.38 g/mol
Exact Mass469.06
IUPAC Name[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate
SMILESCCn1c(COC(=O)Cc2ccc(Cl)cc2Cl)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H21Cl2N3O4S/c1-4-25-18-8-7-15(30(27,28)24(2)3)11-17(18)23-19(25)12-29-20(26)9-13-5-6-14(21)10-16(13)22/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyMJRJUKMHCUPDIQ-UHFFFAOYSA-N
XLogP3.90
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-amino-4-chlorobenzoate
CID 30018010
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 2,5-dichlorobenzoate
CID 46814003
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 4-methylsulfonylbenzoate
CID 30000662
(4-chlorophenyl) 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate
CID 26096915
2-[(2,6-dichlorophenoxy)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 24684736
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl cyclopentanecarboxylate
CID 8011839
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl pyridine-2-carboxylate
CID 18193380
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate
CID 16560205
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 3-chloro-1-benzothiophene-2-carboxylate
CID 55356874
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(3-hydroxy-1-adamantyl)acetate
CID 45352505
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl (5S,7S)-3-chloroadamantane-1-carboxylate
CID 98237736
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl (5R,7R)-3-chloroadamantane-1-carboxylate
CID 98237737

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate (CID 46813897) is [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate is CCn1c(COC(=O)Cc2ccc(Cl)cc2Cl)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate?
The InChIKey is MJRJUKMHCUPDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O4S/c1-4-25-18-8-7-15(30(27,28)24(2)3)11-17(18)23-19(25)12-29-20(26)9-13-5-6-14(21)10-16(13)22/h5-8,10-11H,4,9,12H2,1-3H3.
What are the key properties of [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate?
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate has a molecular weight of 470.38 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 46813897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).