methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate

C11H11F2N3O2 — CID 113325619

IUPACmethyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate
SMILESCOC(=O)C(C)n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C11H11F2N3O2/c1-5(10(17)18-2)16-8-4-6(12)3-7(13)9(8)15-11(16)14/h3-5H,1-2H3,(H2,14,15)
InChIKeyBYUBVQOYXYYJOI-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.63
Rot. Bonds2

About methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate

methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate (PubChem CID 113325619) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate
PubChem CID113325619
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Namemethyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate
SMILESCOC(=O)C(C)n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C11H11F2N3O2/c1-5(10(17)18-2)16-8-4-6(12)3-7(13)9(8)15-11(16)14/h3-5H,1-2H3,(H2,14,15)
InChIKeyBYUBVQOYXYYJOI-UHFFFAOYSA-N
XLogP1.63
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-methylbutanoate
CID 115508780
methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
CID 62377357
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)propanoate
CID 66076580
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 115508683
1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine
CID 113499218
4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine
CID 115508677
4,6-difluoro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 115508823
4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine
CID 115508707
2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 54950785
methyl 2-[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]propanoate
CID 62376529
methyl 2-[2-(1-chloroethyl)-4,6-difluorobenzimidazol-1-yl]acetate
CID 113325656
methyl 2-[2-(1-chloroethyl)-4-fluorobenzimidazol-1-yl]propanoate
CID 61499707

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate?
The IUPAC name of methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate (CID 113325619) is methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate.
What is the SMILES notation for methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate?
The canonical SMILES for methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate is COC(=O)C(C)n1c(N)nc2c(F)cc(F)cc21.
What is the InChIKey of methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate?
The InChIKey is BYUBVQOYXYYJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-5(10(17)18-2)16-8-4-6(12)3-7(13)9(8)15-11(16)14/h3-5H,1-2H3,(H2,14,15).
What are the key properties of methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate?
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate has a molecular weight of 255.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate is sourced from PubChem (CID 113325619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).