[2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine

C13H11FN4 — CID 113436420

IUPAC[2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(-c3ccc(F)cn3)[nH]c2c1
InChIInChI=1S/C13H11FN4/c14-9-2-4-11(16-7-9)13-17-10-3-1-8(6-15)5-12(10)18-13/h1-5,7H,6,15H2,(H,17,18)
InChIKeyMKSAQXIFAZRHTH-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.22
Rot. Bonds2

About [2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine

[2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 113436420) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is [2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine
PubChem CID113436420
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name[2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(-c3ccc(F)cn3)[nH]c2c1
InChIInChI=1S/C13H11FN4/c14-9-2-4-11(16-7-9)13-17-10-3-1-8(6-15)5-12(10)18-13/h1-5,7H,6,15H2,(H,17,18)
InChIKeyMKSAQXIFAZRHTH-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

2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 104639104
2-(5-fluoro-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
CID 104639134
2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 64724542
[2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004467
3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine
CID 82305555
6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909124
[2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 82774776
[2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004447
2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292186
6-ethyl-2-(5-heptyl-2-pyridinyl)-1H-benzimidazole
CID 142677705
[6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine
CID 81099845
[2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004543

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine (CID 113436420) is [2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine is NCc1ccc2nc(-c3ccc(F)cn3)[nH]c2c1.
What is the InChIKey of [2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is MKSAQXIFAZRHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c14-9-2-4-11(16-7-9)13-17-10-3-1-8(6-15)5-12(10)18-13/h1-5,7H,6,15H2,(H,17,18).
What are the key properties of [2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine?
[2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]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 [2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 113436420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).