2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol

C18H20N2O2 — CID 82149283

IUPAC2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(CCCOc2ccccc2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c21-13-12-20-17-10-5-4-9-16(17)19-18(20)11-6-14-22-15-7-2-1-3-8-15/h1-5,7-10,21H,6,11-14H2
InChIKeyQDAGRXOCCNEWAG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.04
Rot. Bonds7

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

2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol (PubChem CID 82149283) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol
PubChem CID82149283
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(CCCOc2ccccc2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c21-13-12-20-17-10-5-4-9-16(17)19-18(20)11-6-14-22-15-7-2-1-3-8-15/h1-5,7-10,21H,6,11-14H2
InChIKeyQDAGRXOCCNEWAG-UHFFFAOYSA-N
XLogP3.04
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.04
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-(4-phenoxybutyl)benzimidazol-2-yl]methanol
CID 2945062
3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 648297
3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2945925
2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242419
2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 19242403
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511
2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242415
N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966248
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16987885
3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3827854

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol (CID 82149283) is 2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol is OCCn1c(CCCOc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol?
The InChIKey is QDAGRXOCCNEWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-13-12-20-17-10-5-4-9-16(17)19-18(20)11-6-14-22-15-7-2-1-3-8-15/h1-5,7-10,21H,6,11-14H2.
What are the key properties of 2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol?
2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol has a molecular weight of 296.37 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82149283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).