6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole

C21H16N4O2 — CID 122447522

IUPAC6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole
SMILESCOc1cncc(-c2ccc3nc(-c4nc5c(C)cccc5[nH]4)oc3c2)c1
InChIInChI=1S/C21H16N4O2/c1-12-4-3-5-17-19(12)25-20(23-17)21-24-16-7-6-13(9-18(16)27-21)14-8-15(26-2)11-22-10-14/h3-11H,1-2H3,(H,23,25)
InChIKeyRCLIWFLYZFREPS-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.75
Rot. Bonds3

About 6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole

6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole (PubChem CID 122447522) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole
PubChem CID122447522
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole
SMILESCOc1cncc(-c2ccc3nc(-c4nc5c(C)cccc5[nH]4)oc3c2)c1
InChIInChI=1S/C21H16N4O2/c1-12-4-3-5-17-19(12)25-20(23-17)21-24-16-7-6-13(9-18(16)27-21)14-8-15(26-2)11-22-10-14/h3-11H,1-2H3,(H,23,25)
InChIKeyRCLIWFLYZFREPS-UHFFFAOYSA-N
XLogP4.75
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole (CID 122447522) is 6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole is COc1cncc(-c2ccc3nc(-c4nc5c(C)cccc5[nH]4)oc3c2)c1.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole?
The InChIKey is RCLIWFLYZFREPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-12-4-3-5-17-19(12)25-20(23-17)21-24-16-7-6-13(9-18(16)27-21)14-8-15(26-2)11-22-10-14/h3-11H,1-2H3,(H,23,25).
What are the key properties of 6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole?
6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole has a molecular weight of 356.39 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)-2-(4-methyl-1H-benzimidazol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 122447522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).