6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole

C19H16N4O2 — CID 141145376

IUPAC6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole
SMILESCOCc1ccc(Oc2ccc3nc(-c4ccccn4)[nH]c3c2)cn1
InChIInChI=1S/C19H16N4O2/c1-24-12-13-5-6-15(11-21-13)25-14-7-8-16-18(10-14)23-19(22-16)17-4-2-3-9-20-17/h2-11H,12H2,1H3,(H,22,23)
InChIKeyYFJYXMQOXIXWKD-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.96
Rot. Bonds5

About 6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole

6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole (PubChem CID 141145376) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole
PubChem CID141145376
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole
SMILESCOCc1ccc(Oc2ccc3nc(-c4ccccn4)[nH]c3c2)cn1
InChIInChI=1S/C19H16N4O2/c1-24-12-13-5-6-15(11-21-13)25-14-7-8-16-18(10-14)23-19(22-16)17-4-2-3-9-20-17/h2-11H,12H2,1H3,(H,22,23)
InChIKeyYFJYXMQOXIXWKD-UHFFFAOYSA-N
XLogP3.96
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole?
The IUPAC name of 6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole (CID 141145376) is 6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole.
What is the SMILES notation for 6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole?
The canonical SMILES for 6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole is COCc1ccc(Oc2ccc3nc(-c4ccccn4)[nH]c3c2)cn1.
What is the InChIKey of 6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole?
The InChIKey is YFJYXMQOXIXWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-24-12-13-5-6-15(11-21-13)25-14-7-8-16-18(10-14)23-19(22-16)17-4-2-3-9-20-17/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of 6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole?
6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole has a molecular weight of 332.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole is sourced from PubChem (CID 141145376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).