methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate

C23H18N2O4S — CID 6224133

IUPACmethyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18N2O4S/c1-29-23(26)17-13-11-16(12-14-17)15-21(30(27,28)18-7-3-2-4-8-18)22-24-19-9-5-6-10-20(19)25-22/h2-15H,1H3,(H,24,25)/b21-15+
InChIKeyVGRPIMUPFCVPNI-RCCKNPSSSA-N
MW418.47 g/mol
LogP4.32
Rot. Bonds5

About methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate

methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate (PubChem CID 6224133) has the molecular formula C23H18N2O4S and a molecular weight of 418.47 g/mol. Its IUPAC name is methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate
PubChem CID6224133
Molecular FormulaC23H18N2O4S
Molecular Weight418.47 g/mol
Exact Mass418.10
IUPAC Namemethyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18N2O4S/c1-29-23(26)17-13-11-16(12-14-17)15-21(30(27,28)18-7-3-2-4-8-18)22-24-19-9-5-6-10-20(19)25-22/h2-15H,1H3,(H,24,25)/b21-15+
InChIKeyVGRPIMUPFCVPNI-RCCKNPSSSA-N
XLogP4.32
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate with MolForge

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Related Compounds

methyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-3-phenylprop-1-enyl]benzoate
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N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)ethenyl]benzamide
CID 5388012
N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide
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methyl 4-[(3-oxo-4H-quinoxalin-2-yl)sulfanylmethyl]benzoate
CID 4092252
methyl 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]benzoate
CID 6142592
[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] benzenesulfonate
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methyl 4-[4-phenyl-2-(2-phenylethynyl)but-1-en-3-ynyl]benzoate
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[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
methyl 4-[(E)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxoprop-1-enyl]benzoate
CID 35348901
methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate
CID 135811902
4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate?
The IUPAC name of methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate (CID 6224133) is methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate?
The canonical SMILES for methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate is COC(=O)c1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate?
The InChIKey is VGRPIMUPFCVPNI-RCCKNPSSSA-N. The full InChI is InChI=1S/C23H18N2O4S/c1-29-23(26)17-13-11-16(12-14-17)15-21(30(27,28)18-7-3-2-4-8-18)22-24-19-9-5-6-10-20(19)25-22/h2-15H,1H3,(H,24,25)/b21-15+.
What are the key properties of methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate?
methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate has a molecular weight of 418.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]benzoate is sourced from PubChem (CID 6224133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).