5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole

C20H15N5O — CID 141078961

IUPAC5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole
SMILESCn1cnc2cc(Oc3ccnc(-c4nc5ccccc5[nH]4)c3)ccc21
InChIInChI=1S/C20H15N5O/c1-25-12-22-17-10-13(6-7-19(17)25)26-14-8-9-21-18(11-14)20-23-15-4-2-3-5-16(15)24-20/h2-12H,1H3,(H,23,24)
InChIKeyFTZVGDOXOGFBMV-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.30
Rot. Bonds3

About 5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole

5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole (PubChem CID 141078961) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole.

Molecular Properties

Compound Name5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole
PubChem CID141078961
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole
SMILESCn1cnc2cc(Oc3ccnc(-c4nc5ccccc5[nH]4)c3)ccc21
InChIInChI=1S/C20H15N5O/c1-25-12-22-17-10-13(6-7-19(17)25)26-14-8-9-21-18(11-14)20-23-15-4-2-3-5-16(15)24-20/h2-12H,1H3,(H,23,24)
InChIKeyFTZVGDOXOGFBMV-UHFFFAOYSA-N
XLogP4.30
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole?
The IUPAC name of 5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole (CID 141078961) is 5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole.
What is the SMILES notation for 5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole?
The canonical SMILES for 5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole is Cn1cnc2cc(Oc3ccnc(-c4nc5ccccc5[nH]4)c3)ccc21.
What is the InChIKey of 5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole?
The InChIKey is FTZVGDOXOGFBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-25-12-22-17-10-13(6-7-19(17)25)26-14-8-9-21-18(11-14)20-23-15-4-2-3-5-16(15)24-20/h2-12H,1H3,(H,23,24).
What are the key properties of 5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole?
5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole has a molecular weight of 341.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole is sourced from PubChem (CID 141078961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).