methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate

C10H9F2N3O2 — CID 62532038

IUPACmethyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate
SMILESCOC(=O)Cn1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C10H9F2N3O2/c1-17-7(16)4-15-9-6(14-10(15)13)3-2-5(11)8(9)12/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyHPVKLUXZUHCYHI-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.07
Rot. Bonds2

About methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate

methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate (PubChem CID 62532038) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate
PubChem CID62532038
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Namemethyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate
SMILESCOC(=O)Cn1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C10H9F2N3O2/c1-17-7(16)4-15-9-6(14-10(15)13)3-2-5(11)8(9)12/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyHPVKLUXZUHCYHI-UHFFFAOYSA-N
XLogP1.07
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate?
The IUPAC name of methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate (CID 62532038) is methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate?
The canonical SMILES for methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate is COC(=O)Cn1c(N)nc2ccc(F)c(F)c21.
What is the InChIKey of methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate?
The InChIKey is HPVKLUXZUHCYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c1-17-7(16)4-15-9-6(14-10(15)13)3-2-5(11)8(9)12/h2-3H,4H2,1H3,(H2,13,14).
What are the key properties of methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate?
methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate has a molecular weight of 241.20 g/mol, XLogP of 1.07, 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-6,7-difluorobenzimidazol-1-yl)acetate is sourced from PubChem (CID 62532038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).