2H-benzo[f]benzimidazole

C11H8N2 — CID 45078539

IUPAC2H-benzo[f]benzimidazole
SMILESc1ccc2cc3c(cc2c1)=NCN=3
InChIInChI=1S/C11H8N2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-6H,7H2
InChIKeyKUBXPUKYOKGJRM-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.05
Rot. Bonds

About 2H-benzo[f]benzimidazole

2H-benzo[f]benzimidazole (PubChem CID 45078539) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2H-benzo[f]benzimidazole.

Molecular Properties

Compound Name2H-benzo[f]benzimidazole
PubChem CID45078539
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name2H-benzo[f]benzimidazole
SMILESc1ccc2cc3c(cc2c1)=NCN=3
InChIInChI=1S/C11H8N2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-6H,7H2
InChIKeyKUBXPUKYOKGJRM-UHFFFAOYSA-N
XLogP1.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-benzo[f]benzimidazole?
The IUPAC name of 2H-benzo[f]benzimidazole (CID 45078539) is 2H-benzo[f]benzimidazole.
What is the SMILES notation for 2H-benzo[f]benzimidazole?
The canonical SMILES for 2H-benzo[f]benzimidazole is c1ccc2cc3c(cc2c1)=NCN=3.
What is the InChIKey of 2H-benzo[f]benzimidazole?
The InChIKey is KUBXPUKYOKGJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-6H,7H2.
What are the key properties of 2H-benzo[f]benzimidazole?
2H-benzo[f]benzimidazole has a molecular weight of 168.20 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzo[f]benzimidazole is sourced from PubChem (CID 45078539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).