2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol

C17H16F2N2O3 — CID 110897794

IUPAC2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)Cn2cnc3cc(F)c(F)cc32)c1
InChIInChI=1S/C17H16F2N2O3/c1-23-10-3-4-17(24-2)11(5-10)16(22)8-21-9-20-14-6-12(18)13(19)7-15(14)21/h3-7,9,16,22H,8H2,1-2H3
InChIKeyZYEBCMVPBJMBSZ-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.07
Rot. Bonds5

About 2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol

2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol (PubChem CID 110897794) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol
PubChem CID110897794
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)Cn2cnc3cc(F)c(F)cc32)c1
InChIInChI=1S/C17H16F2N2O3/c1-23-10-3-4-17(24-2)11(5-10)16(22)8-21-9-20-14-6-12(18)13(19)7-15(14)21/h3-7,9,16,22H,8H2,1-2H3
InChIKeyZYEBCMVPBJMBSZ-UHFFFAOYSA-N
XLogP3.07
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-difluoro-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 112812727
1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol
CID 110884989
1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol
CID 62349908
2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 47555657
(1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94032041
2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 110907757
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 742001
(2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol
CID 129402667
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
1-[cyclopropyl(methyl)amino]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol
CID 154735364
4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 31808004

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol (CID 110897794) is 2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol is COc1ccc(OC)c(C(O)Cn2cnc3cc(F)c(F)cc32)c1.
What is the InChIKey of 2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol?
The InChIKey is ZYEBCMVPBJMBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-23-10-3-4-17(24-2)11(5-10)16(22)8-21-9-20-14-6-12(18)13(19)7-15(14)21/h3-7,9,16,22H,8H2,1-2H3.
What are the key properties of 2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol?
2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol has a molecular weight of 334.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 110897794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).