methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate

C11H12FN3O2 — CID 62377357

IUPACmethyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
SMILESCOC(=O)C(C)n1c(N)nc2ccc(F)cc21
InChIInChI=1S/C11H12FN3O2/c1-6(10(16)17-2)15-9-5-7(12)3-4-8(9)14-11(15)13/h3-6H,1-2H3,(H2,13,14)
InChIKeyYTCCNYQUQKRNFB-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.49
Rot. Bonds2

About methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate

methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate (PubChem CID 62377357) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
PubChem CID62377357
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Namemethyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
SMILESCOC(=O)C(C)n1c(N)nc2ccc(F)cc21
InChIInChI=1S/C11H12FN3O2/c1-6(10(16)17-2)15-9-5-7(12)3-4-8(9)14-11(15)13/h3-6H,1-2H3,(H2,13,14)
InChIKeyYTCCNYQUQKRNFB-UHFFFAOYSA-N
XLogP1.49
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.49
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-6-fluorobenzimidazol-1-yl)propanoate?
The IUPAC name of methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate (CID 62377357) is methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate.
What is the SMILES notation for methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate?
The canonical SMILES for methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate is COC(=O)C(C)n1c(N)nc2ccc(F)cc21.
What is the InChIKey of methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate?
The InChIKey is YTCCNYQUQKRNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-6(10(16)17-2)15-9-5-7(12)3-4-8(9)14-11(15)13/h3-6H,1-2H3,(H2,13,14).
What are the key properties of methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate?
methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate has a molecular weight of 237.23 g/mol, XLogP of 1.49, 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-fluorobenzimidazol-1-yl)propanoate is sourced from PubChem (CID 62377357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).