methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate

C10H11N3O2 — CID 131599439

IUPACmethyl 2-(2-amino-1H-benzimidazol-4-yl)acetate
SMILESCOC(=O)Cc1cccc2[nH]c(N)nc12
InChIInChI=1S/C10H11N3O2/c1-15-8(14)5-6-3-2-4-7-9(6)13-10(11)12-7/h2-4H,5H2,1H3,(H3,11,12,13)
InChIKeyGRJNDUQZPLLIQE-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.86
Rot. Bonds2

About methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate

methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate (PubChem CID 131599439) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-1H-benzimidazol-4-yl)acetate
PubChem CID131599439
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Namemethyl 2-(2-amino-1H-benzimidazol-4-yl)acetate
SMILESCOC(=O)Cc1cccc2[nH]c(N)nc12
InChIInChI=1S/C10H11N3O2/c1-15-8(14)5-6-3-2-4-7-9(6)13-10(11)12-7/h2-4H,5H2,1H3,(H3,11,12,13)
InChIKeyGRJNDUQZPLLIQE-UHFFFAOYSA-N
XLogP0.86
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-1H-benzimidazole-4-carboxamide
CID 166892984
4-prop-2-enyl-1H-benzimidazol-2-amine
CID 66897302
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
methyl 2-(2,1-benzothiazol-7-yl)acetate
CID 134110087
methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate
CID 69017528
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
(2-methyl-1H-benzimidazol-4-yl)methyl acetate
CID 58897321
1H-benzimidazole-2,4-diamine;hydrochloride
CID 169014009
4-methyl-1H-benzimidazol-2-amine;trihydrate;trihydrochloride
CID 141030572
1-(2-ethyl-1H-benzimidazol-4-yl)propan-2-one
CID 83881168
methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate
CID 11184556
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate?
The IUPAC name of methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate (CID 131599439) is methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate?
The canonical SMILES for methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate is COC(=O)Cc1cccc2[nH]c(N)nc12.
What is the InChIKey of methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate?
The InChIKey is GRJNDUQZPLLIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-15-8(14)5-6-3-2-4-7-9(6)13-10(11)12-7/h2-4H,5H2,1H3,(H3,11,12,13).
What are the key properties of methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate?
methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate has a molecular weight of 205.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate is sourced from PubChem (CID 131599439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).