methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate

C10H10FN3O2 — CID 60789228

IUPACmethyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate
SMILESCOC(=O)Cn1c(N)nc2c(F)cccc21
InChIInChI=1S/C10H10FN3O2/c1-16-8(15)5-14-7-4-2-3-6(11)9(7)13-10(14)12/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyWCPCDCJACZSPFL-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.93
Rot. Bonds2

About methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate

methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate (PubChem CID 60789228) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate
PubChem CID60789228
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Namemethyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate
SMILESCOC(=O)Cn1c(N)nc2c(F)cccc21
InChIInChI=1S/C10H10FN3O2/c1-16-8(15)5-14-7-4-2-3-6(11)9(7)13-10(14)12/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyWCPCDCJACZSPFL-UHFFFAOYSA-N
XLogP0.93
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 54934889
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate
CID 66078295
methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate
CID 62532038
4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 54920355
4-fluoro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816932
methyl 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]acetate
CID 82067665
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
CID 17002230
1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine
CID 61380518
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate
CID 79475283
methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79733660
1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine
CID 82742340

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate?
The IUPAC name of methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate (CID 60789228) is methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate?
The canonical SMILES for methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate is COC(=O)Cn1c(N)nc2c(F)cccc21.
What is the InChIKey of methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate?
The InChIKey is WCPCDCJACZSPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-16-8(15)5-14-7-4-2-3-6(11)9(7)13-10(14)12/h2-4H,5H2,1H3,(H2,12,13).
What are the key properties of methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate?
methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate has a molecular weight of 223.21 g/mol, XLogP of 0.93, 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-fluorobenzimidazol-1-yl)acetate is sourced from PubChem (CID 60789228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).