2-(naphthalen-2-yloxymethyl)-1H-benzimidazole

C18H14N2O — CID 2055675

IUPAC2-(naphthalen-2-yloxymethyl)-1H-benzimidazole
SMILESc1ccc2cc(OCc3nc4ccccc4[nH]3)ccc2c1
InChIInChI=1S/C18H14N2O/c1-2-6-14-11-15(10-9-13(14)5-1)21-12-18-19-16-7-3-4-8-17(16)20-18/h1-11H,12H2,(H,19,20)
InChIKeyIOENYQZRXBUTBA-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.30
Rot. Bonds3

About 2-(naphthalen-2-yloxymethyl)-1H-benzimidazole

2-(naphthalen-2-yloxymethyl)-1H-benzimidazole (PubChem CID 2055675) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(naphthalen-2-yloxymethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(naphthalen-2-yloxymethyl)-1H-benzimidazole
PubChem CID2055675
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-(naphthalen-2-yloxymethyl)-1H-benzimidazole
SMILESc1ccc2cc(OCc3nc4ccccc4[nH]3)ccc2c1
InChIInChI=1S/C18H14N2O/c1-2-6-14-11-15(10-9-13(14)5-1)21-12-18-19-16-7-3-4-8-17(16)20-18/h1-11H,12H2,(H,19,20)
InChIKeyIOENYQZRXBUTBA-UHFFFAOYSA-N
XLogP4.30
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-yloxymethyl)-1H-benzimidazole?
The IUPAC name of 2-(naphthalen-2-yloxymethyl)-1H-benzimidazole (CID 2055675) is 2-(naphthalen-2-yloxymethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(naphthalen-2-yloxymethyl)-1H-benzimidazole?
The canonical SMILES for 2-(naphthalen-2-yloxymethyl)-1H-benzimidazole is c1ccc2cc(OCc3nc4ccccc4[nH]3)ccc2c1.
What is the InChIKey of 2-(naphthalen-2-yloxymethyl)-1H-benzimidazole?
The InChIKey is IOENYQZRXBUTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-2-6-14-11-15(10-9-13(14)5-1)21-12-18-19-16-7-3-4-8-17(16)20-18/h1-11H,12H2,(H,19,20).
What are the key properties of 2-(naphthalen-2-yloxymethyl)-1H-benzimidazole?
2-(naphthalen-2-yloxymethyl)-1H-benzimidazole has a molecular weight of 274.32 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-yloxymethyl)-1H-benzimidazole is sourced from PubChem (CID 2055675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).