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

C13H13F2N5O — CID 82359192

IUPAC2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)Cn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C13H13F2N5O/c1-19(4-2-3-16)12(21)7-20-11-6-9(15)8(14)5-10(11)18-13(20)17/h5-6H,2,4,7H2,1H3,(H2,17,18)
InChIKeyKXVYKBBBACKSLX-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.27
Rot. Bonds4

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

2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 82359192) has the molecular formula C13H13F2N5O and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID82359192
Molecular FormulaC13H13F2N5O
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)Cn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C13H13F2N5O/c1-19(4-2-3-16)12(21)7-20-11-6-9(15)8(14)5-10(11)18-13(20)17/h5-6H,2,4,7H2,1H3,(H2,17,18)
InChIKeyKXVYKBBBACKSLX-UHFFFAOYSA-N
XLogP1.27
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide
CID 82359120
N-(2-cyanoethyl)-2-(5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 99798757
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 116738123
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 82359191
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
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
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-(4-amino-2-fluorophenyl)sulfanyl-N-(2-cyanoethyl)-N-methylacetamide
CID 43303529
3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile
CID 82146074

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide (CID 82359192) is 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide is CN(CCC#N)C(=O)Cn1c(N)nc2cc(F)c(F)cc21.
What is the InChIKey of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is KXVYKBBBACKSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O/c1-19(4-2-3-16)12(21)7-20-11-6-9(15)8(14)5-10(11)18-13(20)17/h5-6H,2,4,7H2,1H3,(H2,17,18).
What are the key properties of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide?
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 293.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 82359192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).