2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol

C19H20N2O3 — CID 82149384

IUPAC2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol
SMILESCOc1cc2nc(/C=C/c3ccccc3)n(CCO)c2cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-17-12-15-16(13-18(17)24-2)21(10-11-22)19(20-15)9-8-14-6-4-3-5-7-14/h3-9,12-13,22H,10-11H2,1-2H3/b9-8+
InChIKeyVGILIIHMBRPPNT-CMDGGOBGSA-N
MW324.38 g/mol
LogP3.22
Rot. Bonds6

About 2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol

2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol (PubChem CID 82149384) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol
PubChem CID82149384
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol
SMILESCOc1cc2nc(/C=C/c3ccccc3)n(CCO)c2cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-17-12-15-16(13-18(17)24-2)21(10-11-22)19(20-15)9-8-14-6-4-3-5-7-14/h3-9,12-13,22H,10-11H2,1-2H3/b9-8+
InChIKeyVGILIIHMBRPPNT-CMDGGOBGSA-N
XLogP3.22
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol
CID 82149367
3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate
CID 3421062
1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999616
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide
CID 11833693
2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine
CID 82145483
3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 82149576
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole
CID 3728738
3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 82149581

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol (CID 82149384) is 2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol is COc1cc2nc(/C=C/c3ccccc3)n(CCO)c2cc1OC.
What is the InChIKey of 2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol?
The InChIKey is VGILIIHMBRPPNT-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-17-12-15-16(13-18(17)24-2)21(10-11-22)19(20-15)9-8-14-6-4-3-5-7-14/h3-9,12-13,22H,10-11H2,1-2H3/b9-8+.
What are the key properties of 2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol?
2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol has a molecular weight of 324.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82149384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).