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

C18H20N2O — CID 3161922

IUPAC1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C18H20N2O/c1-14(21)18-19-16-11-5-6-12-17(16)20(18)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14,21H,7,10,13H2,1H3
InChIKeyIVWHLLSCQUBJRK-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.72
Rot. Bonds5

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

1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol (PubChem CID 3161922) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol
PubChem CID3161922
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C18H20N2O/c1-14(21)18-19-16-11-5-6-12-17(16)20(18)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14,21H,7,10,13H2,1H3
InChIKeyIVWHLLSCQUBJRK-UHFFFAOYSA-N
XLogP3.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol (CID 3161922) is 1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol is CC(O)c1nc2ccccc2n1CCCc1ccccc1.
What is the InChIKey of 1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol?
The InChIKey is IVWHLLSCQUBJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14(21)18-19-16-11-5-6-12-17(16)20(18)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14,21H,7,10,13H2,1H3.
What are the key properties of 1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol?
1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol has a molecular weight of 280.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 3161922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).