6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine

C14H18BrFN4 — CID 116738236

IUPAC6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
SMILESNc1nc2cc(F)c(Br)cc2n1CCN1CCCCC1
InChIInChI=1S/C14H18BrFN4/c15-10-8-13-12(9-11(10)16)18-14(17)20(13)7-6-19-4-2-1-3-5-19/h8-9H,1-7H2,(H2,17,18)
InChIKeyGJTGGYRGFYTAFC-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.01
Rot. Bonds3

About 6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine

6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine (PubChem CID 116738236) has the molecular formula C14H18BrFN4 and a molecular weight of 341.23 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
PubChem CID116738236
Molecular FormulaC14H18BrFN4
Molecular Weight341.23 g/mol
Exact Mass340.07
IUPAC Name6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
SMILESNc1nc2cc(F)c(Br)cc2n1CCN1CCCCC1
InChIInChI=1S/C14H18BrFN4/c15-10-8-13-12(9-11(10)16)18-14(17)20(13)7-6-19-4-2-1-3-5-19/h8-9H,1-7H2,(H2,17,18)
InChIKeyGJTGGYRGFYTAFC-UHFFFAOYSA-N
XLogP3.01
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 116738265
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456
5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 83003441
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
6-fluoro-5-iodo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 66100782
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
6-bromo-5-fluoro-1-(4-methylsulfanylbutyl)benzimidazol-2-amine
CID 116738528
6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine
CID 116738307
6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine
CID 116738400
3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 116738268
6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine
CID 116738353

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine (CID 116738236) is 6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine is Nc1nc2cc(F)c(Br)cc2n1CCN1CCCCC1.
What is the InChIKey of 6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The InChIKey is GJTGGYRGFYTAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN4/c15-10-8-13-12(9-11(10)16)18-14(17)20(13)7-6-19-4-2-1-3-5-19/h8-9H,1-7H2,(H2,17,18).
What are the key properties of 6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine has a molecular weight of 341.23 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 116738236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).