[6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine

C13H11FN4 — CID 81099845

IUPAC[6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc3c(F)cccc3[nH]2)nc1
InChIInChI=1S/C13H11FN4/c14-9-2-1-3-10-12(9)18-13(17-10)11-5-4-8(6-15)7-16-11/h1-5,7H,6,15H2,(H,17,18)
InChIKeyROSIGUPKBVYOSR-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.22
Rot. Bonds2

About [6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine

[6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine (PubChem CID 81099845) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is [6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine
PubChem CID81099845
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name[6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc3c(F)cccc3[nH]2)nc1
InChIInChI=1S/C13H11FN4/c14-9-2-1-3-10-12(9)18-13(17-10)11-5-4-8(6-15)7-16-11/h1-5,7H,6,15H2,(H,17,18)
InChIKeyROSIGUPKBVYOSR-UHFFFAOYSA-N
XLogP2.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542551
[2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine
CID 113436420
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
5-(4-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-amine
CID 135995632
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole
CID 137004324
2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 81072710
5-(4-fluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615382
4-fluoro-2-(2-iodophenyl)-1H-benzimidazole
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4-fluoro-2-thiophen-2-yl-1H-benzimidazole
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2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine (CID 81099845) is [6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine is NCc1ccc(-c2nc3c(F)cccc3[nH]2)nc1.
What is the InChIKey of [6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine?
The InChIKey is ROSIGUPKBVYOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c14-9-2-1-3-10-12(9)18-13(17-10)11-5-4-8(6-15)7-16-11/h1-5,7H,6,15H2,(H,17,18).
What are the key properties of [6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine?
[6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine has a molecular weight of 242.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81099845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).