[1-(2-phenoxyethyl)benzimidazol-2-yl]methanol

C16H16N2O2 — CID 741502

IUPAC[1-(2-phenoxyethyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-12-16-17-14-8-4-5-9-15(14)18(16)10-11-20-13-6-2-1-3-7-13/h1-9,19H,10-12H2
InChIKeyBYQUBYKTHJNSIM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.61
Rot. Bonds5

About [1-(2-phenoxyethyl)benzimidazol-2-yl]methanol

[1-(2-phenoxyethyl)benzimidazol-2-yl]methanol (PubChem CID 741502) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is [1-(2-phenoxyethyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-phenoxyethyl)benzimidazol-2-yl]methanol
PubChem CID741502
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name[1-(2-phenoxyethyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-12-16-17-14-8-4-5-9-15(14)18(16)10-11-20-13-6-2-1-3-7-13/h1-9,19H,10-12H2
InChIKeyBYQUBYKTHJNSIM-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-phenoxyethyl)benzimidazol-2-yl]methanol?
The IUPAC name of [1-(2-phenoxyethyl)benzimidazol-2-yl]methanol (CID 741502) is [1-(2-phenoxyethyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-(2-phenoxyethyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [1-(2-phenoxyethyl)benzimidazol-2-yl]methanol is OCc1nc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of [1-(2-phenoxyethyl)benzimidazol-2-yl]methanol?
The InChIKey is BYQUBYKTHJNSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-12-16-17-14-8-4-5-9-15(14)18(16)10-11-20-13-6-2-1-3-7-13/h1-9,19H,10-12H2.
What are the key properties of [1-(2-phenoxyethyl)benzimidazol-2-yl]methanol?
[1-(2-phenoxyethyl)benzimidazol-2-yl]methanol has a molecular weight of 268.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenoxyethyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 741502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).