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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Related Compounds

2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
1H-benzo[f]benzimidazole-2-carbonitrile
CID 45078096
2-(6-phenyl-1H-benzimidazol-2-yl)ethanamine
CID 155970920
5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole
CID 55025178
4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene
CID 132514224
1-(1H-benzo[f]benzimidazol-2-yl)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecan-6-one
CID 15399276
2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015
[6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol
CID 816966
CID 87640795
CID 87640795
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-benzo[f]benzimidazole
CID 138756618
5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60979569
5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole
CID 60978368

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).