6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one

C18H12N2O — CID 5329369

IUPAC6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one
SMILESO=c1ccc2ccccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H12N2O/c21-17-10-9-12-5-1-2-6-13(12)11-14(17)18-19-15-7-3-4-8-16(15)20-18/h1-11H,(H,19,20)
InChIKeyOZPIXWTVOIXFBH-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.74
Rot. Bonds1

About 6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one

6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one (PubChem CID 5329369) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one
PubChem CID5329369
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one
SMILESO=c1ccc2ccccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H12N2O/c21-17-10-9-12-5-1-2-6-13(12)11-14(17)18-19-15-7-3-4-8-16(15)20-18/h1-11H,(H,19,20)
InChIKeyOZPIXWTVOIXFBH-UHFFFAOYSA-N
XLogP3.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one?
The IUPAC name of 6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one (CID 5329369) is 6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one is O=c1ccc2ccccc2cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one?
The InChIKey is OZPIXWTVOIXFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c21-17-10-9-12-5-1-2-6-13(12)11-14(17)18-19-15-7-3-4-8-16(15)20-18/h1-11H,(H,19,20).
What are the key properties of 6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one?
6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one has a molecular weight of 272.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)benzo[7]annulen-7-one is sourced from PubChem (CID 5329369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).