4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate

C115H93N11O11 — CID 158247362

IUPAC4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(/C=C/c2cccc(-n3cnc4ccccc43)c2)cc1OC.COc1cc(/C=C/c2cccc(-n3cnc4ccccc43)c2)ccc1C#N.COc1cc(/C=C/c2cccc(-n3cnc4ccccc43)c2)ccc1C(=O)O.COc1cc(/C=C/c2cccc(-n3cnc4ccccc43)c2)ccc1O.COc1ccc(/C=C/c2cccc(-n3cnc4ccccc43)c2)cc1OC
InChIInChI=1S/C24H20N2O3.C23H17N3O.C23H18N2O3.C23H20N2O2.C22H18N2O2/c1-28-23-15-18(12-13-20(23)24(27)29-2)11-10-17-6-5-7-19(14-17)26-16-25-21-8-3-4-9-22(21)26;1-27-23-14-18(11-12-19(23)15-24)10-9-17-5-4-6-20(13-17)26-16-25-21-7-2-3-8-22(21)26;1-28-22-14-17(11-12-19(22)23(26)27)10-9-16-5-4-6-18(13-16)25-15-24-20-7-2-3-8-21(20)25;1-26-22-13-12-18(15-23(22)27-2)11-10-17-6-5-7-19(14-17)25-16-24-20-8-3-4-9-21(20)25;1-26-22-14-17(11-12-21(22)25)10-9-16-5-4-6-18(13-16)24-15-23-19-7-2-3-8-20(19)24/h3-16H,1-2H3;2-14,16H,1H3;2-15H,1H3,(H,26,27);3-16H,1-2H3;2-15,25H,1H3/b11-10+;2*10-9+;11-10+;10-9+
InChIKeyGGHBUNLOHNWBRZ-KMFCJWFTSA-N
MW1805.07 g/mol
LogP25.09
Rot. Bonds23

About 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate

4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate (PubChem CID 158247362) has the molecular formula C115H93N11O11 and a molecular weight of 1805.07 g/mol. Its IUPAC name is 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate.

Molecular Properties

Compound Name4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate
PubChem CID158247362
Molecular FormulaC115H93N11O11
Molecular Weight1805.07 g/mol
Exact Mass1803.71
IUPAC Name4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(/C=C/c2cccc(-n3cnc4ccccc43)c2)cc1OC.COc1cc(/C=C/c2cccc(-n3cnc4ccccc43)c2)ccc1C#N.COc1cc(/C=C/c2cccc(-n3cnc4ccccc43)c2)ccc1C(=O)O.COc1cc(/C=C/c2cccc(-n3cnc4ccccc43)c2)ccc1O.COc1ccc(/C=C/c2cccc(-n3cnc4ccccc43)c2)cc1OC
InChIInChI=1S/C24H20N2O3.C23H17N3O.C23H18N2O3.C23H20N2O2.C22H18N2O2/c1-28-23-15-18(12-13-20(23)24(27)29-2)11-10-17-6-5-7-19(14-17)26-16-25-21-8-3-4-9-22(21)26;1-27-23-14-18(11-12-19(23)15-24)10-9-17-5-4-6-20(13-17)26-16-25-21-7-2-3-8-22(21)26;1-28-22-14-17(11-12-19(22)23(26)27)10-9-16-5-4-6-18(13-16)25-15-24-20-7-2-3-8-21(20)25;1-26-22-13-12-18(15-23(22)27-2)11-10-17-6-5-7-19(14-17)25-16-24-20-8-3-4-9-21(20)25;1-26-22-14-17(11-12-21(22)25)10-9-16-5-4-6-18(13-16)24-15-23-19-7-2-3-8-20(19)24/h3-16H,1-2H3;2-14,16H,1H3;2-15H,1H3,(H,26,27);3-16H,1-2H3;2-15,25H,1H3/b11-10+;2*10-9+;11-10+;10-9+
InChIKeyGGHBUNLOHNWBRZ-KMFCJWFTSA-N
XLogP25.09
TPSA252.10 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001805.07
LogP ≤ 525.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate?
The IUPAC name of 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate (CID 158247362) is 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate.
What is the SMILES notation for 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate?
The canonical SMILES for 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate is COC(=O)c1ccc(/C=C/c2cccc(-n3cnc4ccccc43)c2)cc1OC.COc1cc(/C=C/c2cccc(-n3cnc4ccccc43)c2)ccc1C#N.COc1cc(/C=C/c2cccc(-n3cnc4ccccc43)c2)ccc1C(=O)O.COc1cc(/C=C/c2cccc(-n3cnc4ccccc43)c2)ccc1O.COc1ccc(/C=C/c2cccc(-n3cnc4ccccc43)c2)cc1OC.
What is the InChIKey of 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate?
The InChIKey is GGHBUNLOHNWBRZ-KMFCJWFTSA-N. The full InChI is InChI=1S/C24H20N2O3.C23H17N3O.C23H18N2O3.C23H20N2O2.C22H18N2O2/c1-28-23-15-18(12-13-20(23)24(27)29-2)11-10-17-6-5-7-19(14-17)26-16-25-21-8-3-4-9-22(21)26;1-27-23-14-18(11-12-19(23)15-24)10-9-17-5-4-6-20(13-17)26-16-25-21-7-2-3-8-22(21)26;1-28-22-14-17(11-12-19(22)23(26)27)10-9-16-5-4-6-18(13-16)25-15-24-20-7-2-3-8-21(20)25;1-26-22-13-12-18(15-23(22)27-2)11-10-17-6-5-7-19(14-17)25-16-24-20-8-3-4-9-21(20)25;1-26-22-14-17(11-12-21(22)25)10-9-16-5-4-6-18(13-16)24-15-23-19-7-2-3-8-20(19)24/h3-16H,1-2H3;2-14,16H,1H3;2-15H,1H3,(H,26,27);3-16H,1-2H3;2-15,25H,1H3/b11-10+;2*10-9+;11-10+;10-9+.
What are the key properties of 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate?
4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate has a molecular weight of 1805.07 g/mol, XLogP of 25.09, 23 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate is sourced from PubChem (CID 158247362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).