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

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Related Compounds

3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide
CID 106278489
methyl 3-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]propanoate
CID 55086421
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate
CID 66078295
3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide
CID 62533064
methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate
CID 60789228
6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 113466697
6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143531
N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
CID 63860954
methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 134446922
6,7-difluoro-1-methylbenzimidazol-2-amine
CID 62532542
6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine
CID 62531704
6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 55086320

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).