1-(1-benzylbenzimidazol-2-yl)ethanol

C16H16N2O — CID 2859396

IUPAC1-(1-benzylbenzimidazol-2-yl)ethanol
SMILESCC(O)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H16N2O/c1-12(19)16-17-14-9-5-6-10-15(14)18(16)11-13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3
InChIKeyLKEHINZOIKHAIM-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.14
Rot. Bonds3

About 1-(1-benzylbenzimidazol-2-yl)ethanol

1-(1-benzylbenzimidazol-2-yl)ethanol (PubChem CID 2859396) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(1-benzylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzylbenzimidazol-2-yl)ethanol
PubChem CID2859396
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(1-benzylbenzimidazol-2-yl)ethanol
SMILESCC(O)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H16N2O/c1-12(19)16-17-14-9-5-6-10-15(14)18(16)11-13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3
InChIKeyLKEHINZOIKHAIM-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-benzylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(1-benzylbenzimidazol-2-yl)ethanol (CID 2859396) is 1-(1-benzylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(1-benzylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(1-benzylbenzimidazol-2-yl)ethanol is CC(O)c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-(1-benzylbenzimidazol-2-yl)ethanol?
The InChIKey is LKEHINZOIKHAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12(19)16-17-14-9-5-6-10-15(14)18(16)11-13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3.
What are the key properties of 1-(1-benzylbenzimidazol-2-yl)ethanol?
1-(1-benzylbenzimidazol-2-yl)ethanol 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-benzylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 2859396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).