1-methyl-2H-benzimidazol-2-ylium

C8H7N2+ — CID 140612777

IUPAC1-methyl-2H-benzimidazol-2-ylium
SMILESCN1[C+]=Nc2ccccc21
InChIInChI=1S/C8H7N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-5H,1H3/q+1
InChIKeyNVYFTPHXRSQIDI-UHFFFAOYSA-N
MW131.16 g/mol
LogP1.67
Rot. Bonds

About 1-methyl-2H-benzimidazol-2-ylium

1-methyl-2H-benzimidazol-2-ylium (PubChem CID 140612777) has the molecular formula C8H7N2+ and a molecular weight of 131.16 g/mol. Its IUPAC name is 1-methyl-2H-benzimidazol-2-ylium.

Molecular Properties

Compound Name1-methyl-2H-benzimidazol-2-ylium
PubChem CID140612777
Molecular FormulaC8H7N2+
Molecular Weight131.16 g/mol
Exact Mass131.06
IUPAC Name1-methyl-2H-benzimidazol-2-ylium
SMILESCN1[C+]=Nc2ccccc21
InChIInChI=1S/C8H7N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-5H,1H3/q+1
InChIKeyNVYFTPHXRSQIDI-UHFFFAOYSA-N
XLogP1.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-benzimidazol-2-ylium?
The IUPAC name of 1-methyl-2H-benzimidazol-2-ylium (CID 140612777) is 1-methyl-2H-benzimidazol-2-ylium.
What is the SMILES notation for 1-methyl-2H-benzimidazol-2-ylium?
The canonical SMILES for 1-methyl-2H-benzimidazol-2-ylium is CN1[C+]=Nc2ccccc21.
What is the InChIKey of 1-methyl-2H-benzimidazol-2-ylium?
The InChIKey is NVYFTPHXRSQIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-5H,1H3/q+1.
What are the key properties of 1-methyl-2H-benzimidazol-2-ylium?
1-methyl-2H-benzimidazol-2-ylium has a molecular weight of 131.16 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-benzimidazol-2-ylium is sourced from PubChem (CID 140612777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).