1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol

C20H24N2O2 — CID 17027791

IUPAC1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
SMILESCCCC(O)c1nc2ccccc2n1CCOc1cccc(C)c1
InChIInChI=1S/C20H24N2O2/c1-3-7-19(23)20-21-17-10-4-5-11-18(17)22(20)12-13-24-16-9-6-8-15(2)14-16/h4-6,8-11,14,19,23H,3,7,12-13H2,1-2H3
InChIKeyJRNGOWRXVZESGX-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.26
Rot. Bonds7

About 1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol

1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol (PubChem CID 17027791) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
PubChem CID17027791
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
SMILESCCCC(O)c1nc2ccccc2n1CCOc1cccc(C)c1
InChIInChI=1S/C20H24N2O2/c1-3-7-19(23)20-21-17-10-4-5-11-18(17)22(20)12-13-24-16-9-6-8-15(2)14-16/h4-6,8-11,14,19,23H,3,7,12-13H2,1-2H3
InChIKeyJRNGOWRXVZESGX-UHFFFAOYSA-N
XLogP4.26
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
CID 50745340
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 17027818
N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide
CID 7366573
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
(1R)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 92735925
(1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 92735926
N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971767
1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 23607145
1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995356
1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
CID 17027807
3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline
CID 82097902
1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride
CID 16615626

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol?
The IUPAC name of 1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol (CID 17027791) is 1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol.
What is the SMILES notation for 1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol?
The canonical SMILES for 1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol is CCCC(O)c1nc2ccccc2n1CCOc1cccc(C)c1.
What is the InChIKey of 1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol?
The InChIKey is JRNGOWRXVZESGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-7-19(23)20-21-17-10-4-5-11-18(17)22(20)12-13-24-16-9-6-8-15(2)14-16/h4-6,8-11,14,19,23H,3,7,12-13H2,1-2H3.
What are the key properties of 1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol?
1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol has a molecular weight of 324.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol is sourced from PubChem (CID 17027791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).