5-(benzimidazol-1-ylmethyl)quinolin-8-ol

C17H13N3O — CID 878890

IUPAC5-(benzimidazol-1-ylmethyl)quinolin-8-ol
SMILESOc1ccc(Cn2cnc3ccccc32)c2cccnc12
InChIInChI=1S/C17H13N3O/c21-16-8-7-12(13-4-3-9-18-17(13)16)10-20-11-19-14-5-1-2-6-15(14)20/h1-9,11,21H,10H2
InChIKeyNATLUQYUVYCKGK-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.34
Rot. Bonds2

About 5-(benzimidazol-1-ylmethyl)quinolin-8-ol

5-(benzimidazol-1-ylmethyl)quinolin-8-ol (PubChem CID 878890) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)quinolin-8-ol
PubChem CID878890
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name5-(benzimidazol-1-ylmethyl)quinolin-8-ol
SMILESOc1ccc(Cn2cnc3ccccc32)c2cccnc12
InChIInChI=1S/C17H13N3O/c21-16-8-7-12(13-4-3-9-18-17(13)16)10-20-11-19-14-5-1-2-6-15(14)20/h1-9,11,21H,10H2
InChIKeyNATLUQYUVYCKGK-UHFFFAOYSA-N
XLogP3.34
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)quinolin-8-ol (CID 878890) is 5-(benzimidazol-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)quinolin-8-ol is Oc1ccc(Cn2cnc3ccccc32)c2cccnc12.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)quinolin-8-ol?
The InChIKey is NATLUQYUVYCKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c21-16-8-7-12(13-4-3-9-18-17(13)16)10-20-11-19-14-5-1-2-6-15(14)20/h1-9,11,21H,10H2.
What are the key properties of 5-(benzimidazol-1-ylmethyl)quinolin-8-ol?
5-(benzimidazol-1-ylmethyl)quinolin-8-ol has a molecular weight of 275.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 878890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).