2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole

C22H16N6O — CID 53320089

IUPAC2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole
SMILESCOc1ccc2nc(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)[nH]c2c1
InChIInChI=1S/C22H16N6O/c1-29-14-4-7-17-20(10-14)28-22(26-17)13-3-6-16-19(9-13)27-21(25-16)12-2-5-15-18(8-12)24-11-23-15/h2-11H,1H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyYAXLAJPQEJFOQT-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.66
Rot. Bonds3

About 2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole

2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole (PubChem CID 53320089) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole
PubChem CID53320089
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC Name2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole
SMILESCOc1ccc2nc(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)[nH]c2c1
InChIInChI=1S/C22H16N6O/c1-29-14-4-7-17-20(10-14)28-22(26-17)13-3-6-16-19(9-13)27-21(25-16)12-2-5-15-18(8-12)24-11-23-15/h2-11H,1H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyYAXLAJPQEJFOQT-UHFFFAOYSA-N
XLogP4.66
TPSA95.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole (CID 53320089) is 2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole is COc1ccc2nc(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)[nH]c2c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole?
The InChIKey is YAXLAJPQEJFOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c1-29-14-4-7-17-20(10-14)28-22(26-17)13-3-6-16-19(9-13)27-21(25-16)12-2-5-15-18(8-12)24-11-23-15/h2-11H,1H3,(H,23,24)(H,25,27)(H,26,28).
What are the key properties of 2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole?
2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole has a molecular weight of 380.41 g/mol, XLogP of 4.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-6-(6-methoxy-1H-benzimidazol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 53320089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).