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

C16H16N2O — CID 3147347

IUPAC[1-(1-phenylethyl)benzimidazol-2-yl]methanol
SMILESCC(c1ccccc1)n1c(CO)nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-12(13-7-3-2-4-8-13)18-15-10-6-5-9-14(15)17-16(18)11-19/h2-10,12,19H,11H2,1H3
InChIKeyUDIBNRJJAHPZIR-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.14
Rot. Bonds3

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

[1-(1-phenylethyl)benzimidazol-2-yl]methanol (PubChem CID 3147347) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is [1-(1-phenylethyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-(1-phenylethyl)benzimidazol-2-yl]methanol
PubChem CID3147347
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name[1-(1-phenylethyl)benzimidazol-2-yl]methanol
SMILESCC(c1ccccc1)n1c(CO)nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-12(13-7-3-2-4-8-13)18-15-10-6-5-9-14(15)17-16(18)11-19/h2-10,12,19H,11H2,1H3
InChIKeyUDIBNRJJAHPZIR-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-phenylethyl)benzimidazol-2-yl]methanol?
The IUPAC name of [1-(1-phenylethyl)benzimidazol-2-yl]methanol (CID 3147347) is [1-(1-phenylethyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-(1-phenylethyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [1-(1-phenylethyl)benzimidazol-2-yl]methanol is CC(c1ccccc1)n1c(CO)nc2ccccc21.
What is the InChIKey of [1-(1-phenylethyl)benzimidazol-2-yl]methanol?
The InChIKey is UDIBNRJJAHPZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12(13-7-3-2-4-8-13)18-15-10-6-5-9-14(15)17-16(18)11-19/h2-10,12,19H,11H2,1H3.
What are the key properties of [1-(1-phenylethyl)benzimidazol-2-yl]methanol?
[1-(1-phenylethyl)benzimidazol-2-yl]methanol has a molecular weight of 252.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-phenylethyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 3147347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).