[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate

C26H27N3O4S — CID 16560205

IUPAC[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate
SMILESCCn1c(COC(=O)c2ccccc2Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C26H27N3O4S/c1-4-29-24-15-14-21(34(31,32)28(2)3)17-23(24)27-25(29)18-33-26(30)22-13-9-8-12-20(22)16-19-10-6-5-7-11-19/h5-15,17H,4,16,18H2,1-3H3
InChIKeyBXOFVOCUHLKPPV-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.25
Rot. Bonds8

About [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate

[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate (PubChem CID 16560205) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate
PubChem CID16560205
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate
SMILESCCn1c(COC(=O)c2ccccc2Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C26H27N3O4S/c1-4-29-24-15-14-21(34(31,32)28(2)3)17-23(24)27-25(29)18-33-26(30)22-13-9-8-12-20(22)16-19-10-6-5-7-11-19/h5-15,17H,4,16,18H2,1-3H3
InChIKeyBXOFVOCUHLKPPV-UHFFFAOYSA-N
XLogP4.25
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl pyridine-2-carboxylate
CID 18193380
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 4-methylsulfonylbenzoate
CID 30000662
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-amino-4-chlorobenzoate
CID 30018010
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl naphthalene-1-carboxylate
CID 46814027
N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4820473
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 42894476
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 24680106
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzamidopropanoate
CID 24684554
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 3-chloro-1-benzothiophene-2-carboxylate
CID 55356874
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 3-(methanesulfonamido)benzoate
CID 16560292
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 4-(furan-2-carbonylamino)benzoate
CID 27764250
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl cyclopentanecarboxylate
CID 8011839

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate?
The IUPAC name of [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate (CID 16560205) is [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate?
The canonical SMILES for [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate is CCn1c(COC(=O)c2ccccc2Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate?
The InChIKey is BXOFVOCUHLKPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-4-29-24-15-14-21(34(31,32)28(2)3)17-23(24)27-25(29)18-33-26(30)22-13-9-8-12-20(22)16-19-10-6-5-7-11-19/h5-15,17H,4,16,18H2,1-3H3.
What are the key properties of [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate?
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate has a molecular weight of 477.59 g/mol, XLogP of 4.25, 8 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-benzylbenzoate is sourced from PubChem (CID 16560205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).