2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole

C21H16N4O — CID 56925549

IUPAC2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3cccc(-c4cn5ccccc5n4)c3)[nH]c2c1
InChIInChI=1S/C21H16N4O/c1-26-16-8-9-17-18(12-16)24-21(23-17)15-6-4-5-14(11-15)19-13-25-10-3-2-7-20(25)22-19/h2-13H,1H3,(H,23,24)
InChIKeyZYBLHCIRPQDYGD-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.55
Rot. Bonds3

About 2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole

2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole (PubChem CID 56925549) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole
PubChem CID56925549
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3cccc(-c4cn5ccccc5n4)c3)[nH]c2c1
InChIInChI=1S/C21H16N4O/c1-26-16-8-9-17-18(12-16)24-21(23-17)15-6-4-5-14(11-15)19-13-25-10-3-2-7-20(25)22-19/h2-13H,1H3,(H,23,24)
InChIKeyZYBLHCIRPQDYGD-UHFFFAOYSA-N
XLogP4.55
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole (CID 56925549) is 2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole is COc1ccc2nc(-c3cccc(-c4cn5ccccc5n4)c3)[nH]c2c1.
What is the InChIKey of 2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole?
The InChIKey is ZYBLHCIRPQDYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-26-16-8-9-17-18(12-16)24-21(23-17)15-6-4-5-14(11-15)19-13-25-10-3-2-7-20(25)22-19/h2-13H,1H3,(H,23,24).
What are the key properties of 2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole?
2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole has a molecular weight of 340.39 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 56925549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).