1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol

C18H20N2O3 — CID 16995356

IUPAC1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
SMILESCOc1cccc(OCCn2c(C(C)O)nc3ccccc32)c1
InChIInChI=1S/C18H20N2O3/c1-13(21)18-19-16-8-3-4-9-17(16)20(18)10-11-23-15-7-5-6-14(12-15)22-2/h3-9,12-13,21H,10-11H2,1-2H3
InChIKeyHXMUBILJMRYVMW-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.18
Rot. Bonds6

About 1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol

1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol (PubChem CID 16995356) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
PubChem CID16995356
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
SMILESCOc1cccc(OCCn2c(C(C)O)nc3ccccc32)c1
InChIInChI=1S/C18H20N2O3/c1-13(21)18-19-16-8-3-4-9-17(16)20(18)10-11-23-15-7-5-6-14(12-15)22-2/h3-9,12-13,21H,10-11H2,1-2H3
InChIKeyHXMUBILJMRYVMW-UHFFFAOYSA-N
XLogP3.18
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995132
(2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 7425022
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968767
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969373
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 16998977
1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 96571175
1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride
CID 16615626
(1S)-1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962321
2-ethyl-N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969072
1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol
CID 18879025
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968167

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol (CID 16995356) is 1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol is COc1cccc(OCCn2c(C(C)O)nc3ccccc32)c1.
What is the InChIKey of 1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol?
The InChIKey is HXMUBILJMRYVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(21)18-19-16-8-3-4-9-17(16)20(18)10-11-23-15-7-5-6-14(12-15)22-2/h3-9,12-13,21H,10-11H2,1-2H3.
What are the key properties of 1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol?
1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol has a molecular weight of 312.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 16995356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).