1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol

C18H20N2O — CID 23607144

IUPAC1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol
SMILESCCC(O)c1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-17(21)18-19-15-10-6-7-11-16(15)20(18)13-12-14-8-4-3-5-9-14/h3-11,17,21H,2,12-13H2,1H3
InChIKeyDEUIXTVWIMKEOI-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.72
Rot. Bonds5

About 1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol

1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 23607144) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol
PubChem CID23607144
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol
SMILESCCC(O)c1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-17(21)18-19-15-10-6-7-11-16(15)20(18)13-12-14-8-4-3-5-9-14/h3-11,17,21H,2,12-13H2,1H3
InChIKeyDEUIXTVWIMKEOI-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-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol (CID 23607144) is 1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol is CCC(O)c1nc2ccccc2n1CCc1ccccc1.
What is the InChIKey of 1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is DEUIXTVWIMKEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-17(21)18-19-15-10-6-7-11-16(15)20(18)13-12-14-8-4-3-5-9-14/h3-11,17,21H,2,12-13H2,1H3.
What are the key properties of 1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol?
1-[1-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol 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-(2-phenylethyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 23607144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).