1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine

C15H15FN4 — CID 77456052

IUPAC1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine
SMILESCC(N)c1nc2ccc(F)c(-c3ccccn3)c2n1C
InChIInChI=1S/C15H15FN4/c1-9(17)15-19-12-7-6-10(16)13(14(12)20(15)2)11-5-3-4-8-18-11/h3-9H,17H2,1-2H3
InChIKeyIISUKHHZZMTAAT-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.79
Rot. Bonds2

About 1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine

1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine (PubChem CID 77456052) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine
PubChem CID77456052
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine
SMILESCC(N)c1nc2ccc(F)c(-c3ccccn3)c2n1C
InChIInChI=1S/C15H15FN4/c1-9(17)15-19-12-7-6-10(16)13(14(12)20(15)2)11-5-3-4-8-18-11/h3-9H,17H2,1-2H3
InChIKeyIISUKHHZZMTAAT-UHFFFAOYSA-N
XLogP2.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol
CID 77456184
1-(5,6-dimethyl-3-pyridin-2-yl-2-pyridinyl)ethanamine
CID 90841311
(1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine
CID 163678533
(1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine
CID 134427619
1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine
CID 67512321
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine
CID 67447528
2-chloro-3-fluoro-6-pyridin-2-ylpyridine
CID 175788383
7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114
1-(3-pyridin-2-yl-1,2-oxazol-5-yl)ethanamine
CID 82404680
[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone
CID 77456244
2-(1-chloroethyl)-6,7-difluoro-1-(3-methylphenyl)benzimidazole
CID 63547243

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine (CID 77456052) is 1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine is CC(N)c1nc2ccc(F)c(-c3ccccn3)c2n1C.
What is the InChIKey of 1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine?
The InChIKey is IISUKHHZZMTAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-9(17)15-19-12-7-6-10(16)13(14(12)20(15)2)11-5-3-4-8-18-11/h3-9H,17H2,1-2H3.
What are the key properties of 1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine?
1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine has a molecular weight of 270.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 77456052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).