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

C10H10F2N4O — CID 82359191

IUPAC2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C10H10F2N4O/c1-14-9(17)4-16-8-3-6(12)5(11)2-7(8)15-10(16)13/h2-3H,4H2,1H3,(H2,13,15)(H,14,17)
InChIKeySBGRKTXSTCVZON-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.64
Rot. Bonds2

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

2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide (PubChem CID 82359191) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
PubChem CID82359191
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C10H10F2N4O/c1-14-9(17)4-16-8-3-6(12)5(11)2-7(8)15-10(16)13/h2-3H,4H2,1H3,(H2,13,15)(H,14,17)
InChIKeySBGRKTXSTCVZON-UHFFFAOYSA-N
XLogP0.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide (CID 82359191) is 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide is CNC(=O)Cn1c(N)nc2cc(F)c(F)cc21.
What is the InChIKey of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide?
The InChIKey is SBGRKTXSTCVZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O/c1-14-9(17)4-16-8-3-6(12)5(11)2-7(8)15-10(16)13/h2-3H,4H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide?
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide has a molecular weight of 240.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 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-methylacetamide is sourced from PubChem (CID 82359191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).