2-fluoro-2H-benzimidazole

C7H5FN2 — CID 174930359

IUPAC2-fluoro-2H-benzimidazole
SMILESFC1N=c2ccccc2=N1
InChIInChI=1S/C7H5FN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H
InChIKeyUZQZDUZDPFEGJJ-UHFFFAOYSA-N
MW136.13 g/mol
LogP0.19
Rot. Bonds

About 2-fluoro-2H-benzimidazole

2-fluoro-2H-benzimidazole (PubChem CID 174930359) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 2-fluoro-2H-benzimidazole.

Molecular Properties

Compound Name2-fluoro-2H-benzimidazole
PubChem CID174930359
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name2-fluoro-2H-benzimidazole
SMILESFC1N=c2ccccc2=N1
InChIInChI=1S/C7H5FN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H
InChIKeyUZQZDUZDPFEGJJ-UHFFFAOYSA-N
XLogP0.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2H-benzimidazole?
The IUPAC name of 2-fluoro-2H-benzimidazole (CID 174930359) is 2-fluoro-2H-benzimidazole.
What is the SMILES notation for 2-fluoro-2H-benzimidazole?
The canonical SMILES for 2-fluoro-2H-benzimidazole is FC1N=c2ccccc2=N1.
What is the InChIKey of 2-fluoro-2H-benzimidazole?
The InChIKey is UZQZDUZDPFEGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H.
What are the key properties of 2-fluoro-2H-benzimidazole?
2-fluoro-2H-benzimidazole has a molecular weight of 136.13 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2H-benzimidazole is sourced from PubChem (CID 174930359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).