2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide

C13H16F2N4O — CID 82359120

IUPAC2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C13H16F2N4O/c1-3-18(4-2)12(20)7-19-11-6-9(15)8(14)5-10(11)17-13(19)16/h5-6H,3-4,7H2,1-2H3,(H2,16,17)
InChIKeyYICZGSHQBKIQRF-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.77
Rot. Bonds4

About 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide

2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide (PubChem CID 82359120) has the molecular formula C13H16F2N4O and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide
PubChem CID82359120
Molecular FormulaC13H16F2N4O
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Name2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C13H16F2N4O/c1-3-18(4-2)12(20)7-19-11-6-9(15)8(14)5-10(11)17-13(19)16/h5-6H,3-4,7H2,1-2H3,(H2,16,17)
InChIKeyYICZGSHQBKIQRF-UHFFFAOYSA-N
XLogP1.77
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 82359191
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide
CID 82359192
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 116738123
2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N-diethylacetamide
CID 103593940
1-ethyl-5,6-difluorobenzimidazol-2-amine
CID 82359171
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide
CID 82359124
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 82359117
4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid
CID 82359205
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate
CID 66078295
2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N,N-diethylacetamide
CID 82332381
ethyl 3-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)propanoate
CID 66078519
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 103593098

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide (CID 82359120) is 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c(N)nc2cc(F)c(F)cc21.
What is the InChIKey of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide?
The InChIKey is YICZGSHQBKIQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O/c1-3-18(4-2)12(20)7-19-11-6-9(15)8(14)5-10(11)17-13(19)16/h5-6H,3-4,7H2,1-2H3,(H2,16,17).
What are the key properties of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide?
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide has a molecular weight of 282.29 g/mol, XLogP of 1.77, 4 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)-N,N-diethylacetamide is sourced from PubChem (CID 82359120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).