2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone

C14H16F2N4O — CID 82359117

IUPAC2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone
SMILESNc1nc2cc(F)c(F)cc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C14H16F2N4O/c15-9-6-11-12(7-10(9)16)20(14(17)18-11)8-13(21)19-4-2-1-3-5-19/h6-7H,1-5,8H2,(H2,17,18)
InChIKeyAMEHMDYPJXRKSJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.91
Rot. Bonds2

About 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone

2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone (PubChem CID 82359117) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone
PubChem CID82359117
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone
SMILESNc1nc2cc(F)c(F)cc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C14H16F2N4O/c15-9-6-11-12(7-10(9)16)20(14(17)18-11)8-13(21)19-4-2-1-3-5-19/h6-7H,1-5,8H2,(H2,17,18)
InChIKeyAMEHMDYPJXRKSJ-UHFFFAOYSA-N
XLogP1.91
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 103593098
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 82359191
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide
CID 82359120
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide
CID 82359124
1-[2-[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-5,6-difluorobenzimidazol-1-yl]acetyl]-N,N-dimethylpiperidine-3-carboxamide
CID 154635530
2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 82332690
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide
CID 82359192
6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
CID 116738236
6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 116738265
6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66101974
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 116738123
1-(2-fluorophenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003499

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone (CID 82359117) is 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone is Nc1nc2cc(F)c(F)cc2n1CC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is AMEHMDYPJXRKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c15-9-6-11-12(7-10(9)16)20(14(17)18-11)8-13(21)19-4-2-1-3-5-19/h6-7H,1-5,8H2,(H2,17,18).
What are the key properties of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone?
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 294.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 82359117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).