5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol

C19H12N4O2 — CID 122447515

IUPAC5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1
InChIInChI=1S/C19H12N4O2/c24-13-7-12(9-20-10-13)11-5-6-16-17(8-11)25-19(23-16)18-21-14-3-1-2-4-15(14)22-18/h1-10,24H,(H,21,22)
InChIKeyJVCNIVWSTJCBHN-UHFFFAOYSA-N
MW328.33 g/mol
LogP4.14
Rot. Bonds2

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

5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol (PubChem CID 122447515) has the molecular formula C19H12N4O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol
PubChem CID122447515
Molecular FormulaC19H12N4O2
Molecular Weight328.33 g/mol
Exact Mass328.10
IUPAC Name5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1
InChIInChI=1S/C19H12N4O2/c24-13-7-12(9-20-10-13)11-5-6-16-17(8-11)25-19(23-16)18-21-14-3-1-2-4-15(14)22-18/h1-10,24H,(H,21,22)
InChIKeyJVCNIVWSTJCBHN-UHFFFAOYSA-N
XLogP4.14
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol?
The IUPAC name of 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol (CID 122447515) is 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol.
What is the SMILES notation for 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol?
The canonical SMILES for 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol is Oc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1.
What is the InChIKey of 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol?
The InChIKey is JVCNIVWSTJCBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2/c24-13-7-12(9-20-10-13)11-5-6-16-17(8-11)25-19(23-16)18-21-14-3-1-2-4-15(14)22-18/h1-10,24H,(H,21,22).
What are the key properties of 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol?
5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol has a molecular weight of 328.33 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-ol is sourced from PubChem (CID 122447515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).