3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol

C18H20N2O — CID 2896825

IUPAC3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol
SMILESCC(c1ccccc1)n1c(CCCO)nc2ccccc21
InChIInChI=1S/C18H20N2O/c1-14(15-8-3-2-4-9-15)20-17-11-6-5-10-16(17)19-18(20)12-7-13-21/h2-6,8-11,14,21H,7,12-13H2,1H3
InChIKeyIXKDNEGPEZPGGZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.57
Rot. Bonds5

About 3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol

3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 2896825) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol
PubChem CID2896825
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol
SMILESCC(c1ccccc1)n1c(CCCO)nc2ccccc21
InChIInChI=1S/C18H20N2O/c1-14(15-8-3-2-4-9-15)20-17-11-6-5-10-16(17)19-18(20)12-7-13-21/h2-6,8-11,14,21H,7,12-13H2,1H3
InChIKeyIXKDNEGPEZPGGZ-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol (CID 2896825) is 3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol is CC(c1ccccc1)n1c(CCCO)nc2ccccc21.
What is the InChIKey of 3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is IXKDNEGPEZPGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14(15-8-3-2-4-9-15)20-17-11-6-5-10-16(17)19-18(20)12-7-13-21/h2-6,8-11,14,21H,7,12-13H2,1H3.
What are the key properties of 3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol?
3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-phenylethyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 2896825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).