1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol

C22H28N2O2 — CID 17027818

IUPAC1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
SMILESCCCC(O)c1nc2ccccc2n1CCCOc1ccc(CC)cc1
InChIInChI=1S/C22H28N2O2/c1-3-8-21(25)22-23-19-9-5-6-10-20(19)24(22)15-7-16-26-18-13-11-17(4-2)12-14-18/h5-6,9-14,21,25H,3-4,7-8,15-16H2,1-2H3
InChIKeySDSMIOPLNOBOQL-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.90
Rot. Bonds9

About 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol

1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol (PubChem CID 17027818) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
PubChem CID17027818
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
SMILESCCCC(O)c1nc2ccccc2n1CCCOc1ccc(CC)cc1
InChIInChI=1S/C22H28N2O2/c1-3-8-21(25)22-23-19-9-5-6-10-20(19)24(22)15-7-16-26-18-13-11-17(4-2)12-14-18/h5-6,9-14,21,25H,3-4,7-8,15-16H2,1-2H3
InChIKeySDSMIOPLNOBOQL-UHFFFAOYSA-N
XLogP4.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol
CID 6491547
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 40699156
(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
2-[1-(azepan-1-yl)ethyl]-1-[3-(4-ethylphenoxy)propyl]benzimidazole
CID 18885329
1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
CID 3161879
N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969251
1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
CID 17027791
1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
CID 17027807
(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885099

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol?
The IUPAC name of 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol (CID 17027818) is 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol.
What is the SMILES notation for 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol?
The canonical SMILES for 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol is CCCC(O)c1nc2ccccc2n1CCCOc1ccc(CC)cc1.
What is the InChIKey of 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol?
The InChIKey is SDSMIOPLNOBOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-8-21(25)22-23-19-9-5-6-10-20(19)24(22)15-7-16-26-18-13-11-17(4-2)12-14-18/h5-6,9-14,21,25H,3-4,7-8,15-16H2,1-2H3.
What are the key properties of 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol?
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol has a molecular weight of 352.48 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol is sourced from PubChem (CID 17027818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).