2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline

C15H13F2N3 — CID 58362359

IUPAC2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline
SMILESNc1ccc(-c2nc3ccccc3n2CCF)cc1F
InChIInChI=1S/C15H13F2N3/c16-7-8-20-14-4-2-1-3-13(14)19-15(20)10-5-6-12(18)11(17)9-10/h1-6,9H,7-8,18H2
InChIKeyVYPYGTMLRJXLKU-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.39
Rot. Bonds3

About 2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline

2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline (PubChem CID 58362359) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline
PubChem CID58362359
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline
SMILESNc1ccc(-c2nc3ccccc3n2CCF)cc1F
InChIInChI=1S/C15H13F2N3/c16-7-8-20-14-4-2-1-3-13(14)19-15(20)10-5-6-12(18)11(17)9-10/h1-6,9H,7-8,18H2
InChIKeyVYPYGTMLRJXLKU-UHFFFAOYSA-N
XLogP3.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
CID 63187871
4-(1-ethylbenzimidazol-2-yl)-2-fluoroaniline
CID 63187870
4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 63187874
[2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine
CID 158757236
5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 58362572
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629105
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136872120
2-(4-fluorophenyl)-1-hexylbenzimidazole
CID 19243183
2-(4-fluorophenyl)-1-hexadecylbenzimidazole
CID 19243176

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline?
The IUPAC name of 2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline (CID 58362359) is 2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline.
What is the SMILES notation for 2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline?
The canonical SMILES for 2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline is Nc1ccc(-c2nc3ccccc3n2CCF)cc1F.
What is the InChIKey of 2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline?
The InChIKey is VYPYGTMLRJXLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c16-7-8-20-14-4-2-1-3-13(14)19-15(20)10-5-6-12(18)11(17)9-10/h1-6,9H,7-8,18H2.
What are the key properties of 2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline?
2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline has a molecular weight of 273.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline is sourced from PubChem (CID 58362359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).