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

C17H18N2O — CID 3147348

IUPAC1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1C(C)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-12(14-8-4-3-5-9-14)19-16-11-7-6-10-15(16)18-17(19)13(2)20/h3-13,20H,1-2H3
InChIKeyKXJMPGXUOJCYDN-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.70
Rot. Bonds3

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

1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol (PubChem CID 3147348) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol
PubChem CID3147348
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1C(C)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-12(14-8-4-3-5-9-14)19-16-11-7-6-10-15(16)18-17(19)13(2)20/h3-13,20H,1-2H3
InChIKeyKXJMPGXUOJCYDN-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol (CID 3147348) is 1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol is CC(O)c1nc2ccccc2n1C(C)c1ccccc1.
What is the InChIKey of 1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol?
The InChIKey is KXJMPGXUOJCYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(14-8-4-3-5-9-14)19-16-11-7-6-10-15(16)18-17(19)13(2)20/h3-13,20H,1-2H3.
What are the key properties of 1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol?
1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol has a molecular weight of 266.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-phenylethyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 3147348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).