3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one

C15H11N3O3 — CID 15428748

IUPAC3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
SMILESCOc1ccc2nc(-n3c(=O)[nH]c4ccccc43)oc2c1
InChIInChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)
InChIKeyODWCGGCCGLKRAK-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.47
Rot. Bonds2

About 3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one

3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one (PubChem CID 15428748) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
PubChem CID15428748
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
SMILESCOc1ccc2nc(-n3c(=O)[nH]c4ccccc43)oc2c1
InChIInChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)
InChIKeyODWCGGCCGLKRAK-UHFFFAOYSA-N
XLogP2.47
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one (CID 15428748) is 3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one is COc1ccc2nc(-n3c(=O)[nH]c4ccccc43)oc2c1.
What is the InChIKey of 3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
The InChIKey is ODWCGGCCGLKRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19).
What are the key properties of 3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one has a molecular weight of 281.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 15428748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).