4-(6-fluoro-1H-benzimidazol-2-yl)aniline

C13H10FN3 — CID 22387237

IUPAC4-(6-fluoro-1H-benzimidazol-2-yl)aniline
SMILESNc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1
InChIInChI=1S/C13H10FN3/c14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8/h1-7H,15H2,(H,16,17)
InChIKeyOHGFHBIPTNBMQE-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.95
Rot. Bonds1

About 4-(6-fluoro-1H-benzimidazol-2-yl)aniline

4-(6-fluoro-1H-benzimidazol-2-yl)aniline (PubChem CID 22387237) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-(6-fluoro-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-(6-fluoro-1H-benzimidazol-2-yl)aniline
PubChem CID22387237
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name4-(6-fluoro-1H-benzimidazol-2-yl)aniline
SMILESNc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1
InChIInChI=1S/C13H10FN3/c14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8/h1-7H,15H2,(H,16,17)
InChIKeyOHGFHBIPTNBMQE-UHFFFAOYSA-N
XLogP2.95
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole
CID 112730258
5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 54919597
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922110
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 113227780
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol
CID 60837203
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 4-(6-fluoro-1H-benzimidazol-2-yl)aniline (CID 22387237) is 4-(6-fluoro-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 4-(6-fluoro-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 4-(6-fluoro-1H-benzimidazol-2-yl)aniline is Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1.
What is the InChIKey of 4-(6-fluoro-1H-benzimidazol-2-yl)aniline?
The InChIKey is OHGFHBIPTNBMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8/h1-7H,15H2,(H,16,17).
What are the key properties of 4-(6-fluoro-1H-benzimidazol-2-yl)aniline?
4-(6-fluoro-1H-benzimidazol-2-yl)aniline has a molecular weight of 227.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 22387237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).