4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole

C22H14N6O — CID 54762182

IUPAC4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole
SMILESc1cc(-c2nc3ccc(-c4ccc5nc(-c6cocn6)[nH]c5c4)cc3[nH]2)ccn1
InChIInChI=1S/C22H14N6O/c1-3-16-18(27-21(25-16)13-5-7-23-8-6-13)9-14(1)15-2-4-17-19(10-15)28-22(26-17)20-11-29-12-24-20/h1-12H,(H,25,27)(H,26,28)
InChIKeyKLYRAMRDKMOHKW-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.82
Rot. Bonds3

About 4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole

4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole (PubChem CID 54762182) has the molecular formula C22H14N6O and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole
PubChem CID54762182
Molecular FormulaC22H14N6O
Molecular Weight378.40 g/mol
Exact Mass378.12
IUPAC Name4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole
SMILESc1cc(-c2nc3ccc(-c4ccc5nc(-c6cocn6)[nH]c5c4)cc3[nH]2)ccn1
InChIInChI=1S/C22H14N6O/c1-3-16-18(27-21(25-16)13-5-7-23-8-6-13)9-14(1)15-2-4-17-19(10-15)28-22(26-17)20-11-29-12-24-20/h1-12H,(H,25,27)(H,26,28)
InChIKeyKLYRAMRDKMOHKW-UHFFFAOYSA-N
XLogP4.82
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole?
The IUPAC name of 4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole (CID 54762182) is 4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole?
The canonical SMILES for 4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole is c1cc(-c2nc3ccc(-c4ccc5nc(-c6cocn6)[nH]c5c4)cc3[nH]2)ccn1.
What is the InChIKey of 4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole?
The InChIKey is KLYRAMRDKMOHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6O/c1-3-16-18(27-21(25-16)13-5-7-23-8-6-13)9-14(1)15-2-4-17-19(10-15)28-22(26-17)20-11-29-12-24-20/h1-12H,(H,25,27)(H,26,28).
What are the key properties of 4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole?
4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole has a molecular weight of 378.40 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 54762182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).