8-(1H-benzimidazol-2-ylmethoxy)quinoline

C17H13N3O — CID 2231560

IUPAC8-(1H-benzimidazol-2-ylmethoxy)quinoline
SMILESC1=CC=C2C(=C1)NC(=N2)COC3=CC=CC4=C3N=CC=C4
InChIInChI=1S/C17H13N3O/c1-2-8-14-13(7-1)19-16(20-14)11-21-15-9-3-5-12-6-4-10-18-17(12)15/h1-10H,11H2,(H,19,20)
InChIKeyZDSIGETWGZSWBK-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.30
Rot. Bonds3

About 8-(1H-benzimidazol-2-ylmethoxy)quinoline

8-(1H-benzimidazol-2-ylmethoxy)quinoline (PubChem CID 2231560) has the molecular formula C17H13N3O and a molecular weight of 275.30 g/mol. Its IUPAC name is 8-(1H-benzimidazol-2-ylmethoxy)quinoline.

Molecular Properties

Compound Name8-(1H-benzimidazol-2-ylmethoxy)quinoline
PubChem CID2231560
Molecular FormulaC17H13N3O
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name8-(1H-benzimidazol-2-ylmethoxy)quinoline
SMILESC1=CC=C2C(=C1)NC(=N2)COC3=CC=CC4=C3N=CC=C4
InChIInChI=1S/C17H13N3O/c1-2-8-14-13(7-1)19-16(20-14)11-21-15-9-3-5-12-6-4-10-18-17(12)15/h1-10H,11H2,(H,19,20)
InChIKeyZDSIGETWGZSWBK-UHFFFAOYSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity351

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-benzimidazol-2-ylmethoxy)quinoline?
The IUPAC name of 8-(1H-benzimidazol-2-ylmethoxy)quinoline (CID 2231560) is 8-(1H-benzimidazol-2-ylmethoxy)quinoline.
What is the SMILES notation for 8-(1H-benzimidazol-2-ylmethoxy)quinoline?
The canonical SMILES for 8-(1H-benzimidazol-2-ylmethoxy)quinoline is C1=CC=C2C(=C1)NC(=N2)COC3=CC=CC4=C3N=CC=C4.
What is the InChIKey of 8-(1H-benzimidazol-2-ylmethoxy)quinoline?
The InChIKey is ZDSIGETWGZSWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-8-14-13(7-1)19-16(20-14)11-21-15-9-3-5-12-6-4-10-18-17(12)15/h1-10H,11H2,(H,19,20).
What are the key properties of 8-(1H-benzimidazol-2-ylmethoxy)quinoline?
8-(1H-benzimidazol-2-ylmethoxy)quinoline has a molecular weight of 275.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-benzimidazol-2-ylmethoxy)quinoline is sourced from PubChem (CID 2231560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).