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

C15H20BrFN4 — CID 116738265

IUPAC6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2cc(F)c(Br)cc21)N1CCCCC1
InChIInChI=1S/C15H20BrFN4/c1-10(20-5-3-2-4-6-20)9-21-14-7-11(16)12(17)8-13(14)19-15(21)18/h7-8,10H,2-6,9H2,1H3,(H2,18,19)
InChIKeyOULMTRHPSGMGKW-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.39
Rot. Bonds3

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

6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine (PubChem CID 116738265) has the molecular formula C15H20BrFN4 and a molecular weight of 355.26 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
PubChem CID116738265
Molecular FormulaC15H20BrFN4
Molecular Weight355.26 g/mol
Exact Mass354.09
IUPAC Name6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2cc(F)c(Br)cc21)N1CCCCC1
InChIInChI=1S/C15H20BrFN4/c1-10(20-5-3-2-4-6-20)9-21-14-7-11(16)12(17)8-13(14)19-15(21)18/h7-8,10H,2-6,9H2,1H3,(H2,18,19)
InChIKeyOULMTRHPSGMGKW-UHFFFAOYSA-N
XLogP3.39
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66101974
6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 115470557
5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66082189
6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
CID 116738236
6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine
CID 116738400
5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine
CID 113484209
6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 116738278
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 116738123
6-bromo-1-[(1-ethylcyclopropyl)methyl]-5-fluorobenzimidazol-2-amine
CID 114101078
6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine
CID 103462895
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine (CID 116738265) is 6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine is CC(Cn1c(N)nc2cc(F)c(Br)cc21)N1CCCCC1.
What is the InChIKey of 6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
The InChIKey is OULMTRHPSGMGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN4/c1-10(20-5-3-2-4-6-20)9-21-14-7-11(16)12(17)8-13(14)19-15(21)18/h7-8,10H,2-6,9H2,1H3,(H2,18,19).
What are the key properties of 6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine has a molecular weight of 355.26 g/mol, XLogP of 3.39, 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-ylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 116738265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).