1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol

C13H18N2O2 — CID 3155709

IUPAC1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
SMILESCCOCCn1c(C(C)O)nc2ccccc21
InChIInChI=1S/C13H18N2O2/c1-3-17-9-8-15-12-7-5-4-6-11(12)14-13(15)10(2)16/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyACYJPUHBPQAFNT-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.13
Rot. Bonds5

About 1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol

1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol (PubChem CID 3155709) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
PubChem CID3155709
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
SMILESCCOCCn1c(C(C)O)nc2ccccc21
InChIInChI=1S/C13H18N2O2/c1-3-17-9-8-15-12-7-5-4-6-11(12)14-13(15)10(2)16/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyACYJPUHBPQAFNT-UHFFFAOYSA-N
XLogP2.13
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol (CID 3155709) is 1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol is CCOCCn1c(C(C)O)nc2ccccc21.
What is the InChIKey of 1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol?
The InChIKey is ACYJPUHBPQAFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-17-9-8-15-12-7-5-4-6-11(12)14-13(15)10(2)16/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of 1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol?
1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol has a molecular weight of 234.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 3155709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).