3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol

C15H22N2O3 — CID 2947583

IUPAC3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol
SMILESCOCCOCCn1c(CCCO)nc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-19-11-12-20-10-8-17-14-6-3-2-5-13(14)16-15(17)7-4-9-18/h2-3,5-6,18H,4,7-12H2,1H3
InChIKeyVEEJTRASKPPUOI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.62
Rot. Bonds9

About 3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol

3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 2947583) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol
PubChem CID2947583
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol
SMILESCOCCOCCn1c(CCCO)nc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-19-11-12-20-10-8-17-14-6-3-2-5-13(14)16-15(17)7-4-9-18/h2-3,5-6,18H,4,7-12H2,1H3
InChIKeyVEEJTRASKPPUOI-UHFFFAOYSA-N
XLogP1.62
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 16995480
3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 648297
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole
CID 103184188
methyl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995551
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2945925
N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988910
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
CID 62389880
2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol
CID 82149283
propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995553

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol (CID 2947583) is 3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol is COCCOCCn1c(CCCO)nc2ccccc21.
What is the InChIKey of 3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is VEEJTRASKPPUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-11-12-20-10-8-17-14-6-3-2-5-13(14)16-15(17)7-4-9-18/h2-3,5-6,18H,4,7-12H2,1H3.
What are the key properties of 3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol has a molecular weight of 278.35 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 2947583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).