1H-benzo[f]benzimidazol-2-ylmethylazanium

C12H12N3+ — CID 7013316

IUPAC1H-benzo[f]benzimidazol-2-ylmethylazanium
SMILES[NH3+]Cc1nc2cc3ccccc3cc2[nH]1
InChIInChI=1S/C12H11N3/c13-7-12-14-10-5-8-3-1-2-4-9(8)6-11(10)15-12/h1-6H,7,13H2,(H,14,15)/p+1
InChIKeyAJKYFNXDRVSPJH-UHFFFAOYSA-O
MW198.25 g/mol
LogP1.46
Rot. Bonds1

About 1H-benzo[f]benzimidazol-2-ylmethylazanium

1H-benzo[f]benzimidazol-2-ylmethylazanium (PubChem CID 7013316) has the molecular formula C12H12N3+ and a molecular weight of 198.25 g/mol. Its IUPAC name is 1H-benzo[f]benzimidazol-2-ylmethylazanium.

Molecular Properties

Compound Name1H-benzo[f]benzimidazol-2-ylmethylazanium
PubChem CID7013316
Molecular FormulaC12H12N3+
Molecular Weight198.25 g/mol
Exact Mass198.10
IUPAC Name1H-benzo[f]benzimidazol-2-ylmethylazanium
SMILES[NH3+]Cc1nc2cc3ccccc3cc2[nH]1
InChIInChI=1S/C12H11N3/c13-7-12-14-10-5-8-3-1-2-4-9(8)6-11(10)15-12/h1-6H,7,13H2,(H,14,15)/p+1
InChIKeyAJKYFNXDRVSPJH-UHFFFAOYSA-O
XLogP1.46
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-benzo[f]benzimidazol-2-ylmethylazanium?
The IUPAC name of 1H-benzo[f]benzimidazol-2-ylmethylazanium (CID 7013316) is 1H-benzo[f]benzimidazol-2-ylmethylazanium.
What is the SMILES notation for 1H-benzo[f]benzimidazol-2-ylmethylazanium?
The canonical SMILES for 1H-benzo[f]benzimidazol-2-ylmethylazanium is [NH3+]Cc1nc2cc3ccccc3cc2[nH]1.
What is the InChIKey of 1H-benzo[f]benzimidazol-2-ylmethylazanium?
The InChIKey is AJKYFNXDRVSPJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H11N3/c13-7-12-14-10-5-8-3-1-2-4-9(8)6-11(10)15-12/h1-6H,7,13H2,(H,14,15)/p+1.
What are the key properties of 1H-benzo[f]benzimidazol-2-ylmethylazanium?
1H-benzo[f]benzimidazol-2-ylmethylazanium has a molecular weight of 198.25 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[f]benzimidazol-2-ylmethylazanium is sourced from PubChem (CID 7013316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).