4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol

C18H16F2N2O3 — CID 136912886

IUPAC4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=C/c2nc3ccccc3n2C(F)F)cc(OC)c1O
InChIInChI=1S/C18H16F2N2O3/c1-24-14-9-11(10-15(25-2)17(14)23)7-8-16-21-12-5-3-4-6-13(12)22(16)18(19)20/h3-10,18,23H,1-2H3/b8-7+
InChIKeyWPUGIMIXGHSVDN-BQYQJAHWSA-N
MW346.33 g/mol
LogP4.32
Rot. Bonds5

About 4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol

4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol (PubChem CID 136912886) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol
PubChem CID136912886
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=C/c2nc3ccccc3n2C(F)F)cc(OC)c1O
InChIInChI=1S/C18H16F2N2O3/c1-24-14-9-11(10-15(25-2)17(14)23)7-8-16-21-12-5-3-4-6-13(12)22(16)18(19)20/h3-10,18,23H,1-2H3/b8-7+
InChIKeyWPUGIMIXGHSVDN-BQYQJAHWSA-N
XLogP4.32
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135519915
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole
CID 40517498
2-(2-phenylethenyl)-1-propan-2-ylbenzimidazole
CID 3787775
2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole
CID 5293130
4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-chloroethenyl]-2,6-dimethoxyphenol
CID 135771332
[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 3,4,5-trimethoxybenzoate
CID 40656243
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 55369618
4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol
CID 135574032
2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol
CID 101267278
(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol
CID 7042738
2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one
CID 31472984

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol (CID 136912886) is 4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol is COc1cc(/C=C/c2nc3ccccc3n2C(F)F)cc(OC)c1O.
What is the InChIKey of 4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol?
The InChIKey is WPUGIMIXGHSVDN-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-24-14-9-11(10-15(25-2)17(14)23)7-8-16-21-12-5-3-4-6-13(12)22(16)18(19)20/h3-10,18,23H,1-2H3/b8-7+.
What are the key properties of 4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol?
4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol has a molecular weight of 346.33 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 4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 136912886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).