1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole

C13H10F2N2 — CID 140748856

IUPAC1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole
SMILESFc1ccccc1N1CN(F)c2ccccc21
InChIInChI=1S/C13H10F2N2/c14-10-5-1-2-6-11(10)16-9-17(15)13-8-4-3-7-12(13)16/h1-8H,9H2
InChIKeyRHTPKPZXWXKWRP-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.63
Rot. Bonds1

About 1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole

1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole (PubChem CID 140748856) has the molecular formula C13H10F2N2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole.

Molecular Properties

Compound Name1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole
PubChem CID140748856
Molecular FormulaC13H10F2N2
Molecular Weight232.23 g/mol
Exact Mass232.08
IUPAC Name1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole
SMILESFc1ccccc1N1CN(F)c2ccccc21
InChIInChI=1S/C13H10F2N2/c14-10-5-1-2-6-11(10)16-9-17(15)13-8-4-3-7-12(13)16/h1-8H,9H2
InChIKeyRHTPKPZXWXKWRP-UHFFFAOYSA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2,4-difluorophenyl)-2H-benzimidazole
CID 140808133
1,3-bis(2-fluorophenyl)-4,4-dimethylimidazolidine
CID 129229077
1-(2-fluorophenyl)-3-methylazetidin-3-ol
CID 173302434
1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide
CID 172813329
4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
2-(2-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
CID 71683758
1-(2-fluorophenyl)-1,2,4-triazol-3-amine
CID 115015063
2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 117003000
2-(2-fluorophenyl)thiazinane 1,1-dioxide
CID 82081518
6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009760
1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018125
1-fluoro-5,10-dimethylphenazine
CID 126619268

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole?
The IUPAC name of 1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole (CID 140748856) is 1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole.
What is the SMILES notation for 1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole?
The canonical SMILES for 1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole is Fc1ccccc1N1CN(F)c2ccccc21.
What is the InChIKey of 1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole?
The InChIKey is RHTPKPZXWXKWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2/c14-10-5-1-2-6-11(10)16-9-17(15)13-8-4-3-7-12(13)16/h1-8H,9H2.
What are the key properties of 1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole?
1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole has a molecular weight of 232.23 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole is sourced from PubChem (CID 140748856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).