2-(benzimidazol-1-ylmethyl)-5-fluoroaniline

C14H12FN3 — CID 64768227

IUPAC2-(benzimidazol-1-ylmethyl)-5-fluoroaniline
SMILESNc1cc(F)ccc1Cn1cnc2ccccc21
InChIInChI=1S/C14H12FN3/c15-11-6-5-10(12(16)7-11)8-18-9-17-13-3-1-2-4-14(13)18/h1-7,9H,8,16H2
InChIKeyOMOXCDILQHLSLL-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.81
Rot. Bonds2

About 2-(benzimidazol-1-ylmethyl)-5-fluoroaniline

2-(benzimidazol-1-ylmethyl)-5-fluoroaniline (PubChem CID 64768227) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-5-fluoroaniline
PubChem CID64768227
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name2-(benzimidazol-1-ylmethyl)-5-fluoroaniline
SMILESNc1cc(F)ccc1Cn1cnc2ccccc21
InChIInChI=1S/C14H12FN3/c15-11-6-5-10(12(16)7-11)8-18-9-17-13-3-1-2-4-14(13)18/h1-7,9H,8,16H2
InChIKeyOMOXCDILQHLSLL-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.81
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

Imiquimod
CID 57469
Lerisetron
CID 65997
Bendazol
CID 12132
2-Phenylbenzimidazole
CID 12855
5-Methylbenzimidazole
CID 11979
Tecastemizole
CID 123618
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
1-(4-Chlorobenzyl)-1H-benzimidazole
CID 853038

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-5-fluoroaniline?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-5-fluoroaniline (CID 64768227) is 2-(benzimidazol-1-ylmethyl)-5-fluoroaniline.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-5-fluoroaniline?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-5-fluoroaniline is Nc1cc(F)ccc1Cn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-5-fluoroaniline?
The InChIKey is OMOXCDILQHLSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-11-6-5-10(12(16)7-11)8-18-9-17-13-3-1-2-4-14(13)18/h1-7,9H,8,16H2.
What are the key properties of 2-(benzimidazol-1-ylmethyl)-5-fluoroaniline?
2-(benzimidazol-1-ylmethyl)-5-fluoroaniline has a molecular weight of 241.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-5-fluoroaniline is sourced from PubChem (CID 64768227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).