methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate

C10H9ClFN3O2 — CID 66078295

IUPACmethyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate
SMILESCOC(=O)Cn1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C10H9ClFN3O2/c1-17-9(16)4-15-8-3-6(12)5(11)2-7(8)14-10(15)13/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyKNRDPIUCRORUIS-UHFFFAOYSA-N
MW257.65 g/mol
LogP1.58
Rot. Bonds2

About methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate

methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate (PubChem CID 66078295) has the molecular formula C10H9ClFN3O2 and a molecular weight of 257.65 g/mol. Its IUPAC name is methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate
PubChem CID66078295
Molecular FormulaC10H9ClFN3O2
Molecular Weight257.65 g/mol
Exact Mass257.04
IUPAC Namemethyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate
SMILESCOC(=O)Cn1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C10H9ClFN3O2/c1-17-9(16)4-15-8-3-6(12)5(11)2-7(8)14-10(15)13/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyKNRDPIUCRORUIS-UHFFFAOYSA-N
XLogP1.58
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate?
The IUPAC name of methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate (CID 66078295) is methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate?
The canonical SMILES for methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate is COC(=O)Cn1c(N)nc2cc(Cl)c(F)cc21.
What is the InChIKey of methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate?
The InChIKey is KNRDPIUCRORUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2/c1-17-9(16)4-15-8-3-6(12)5(11)2-7(8)14-10(15)13/h2-3H,4H2,1H3,(H2,13,14).
What are the key properties of methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate?
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate has a molecular weight of 257.65 g/mol, XLogP of 1.58, 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-5-chloro-6-fluorobenzimidazol-1-yl)acetate is sourced from PubChem (CID 66078295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).