methyl 2-(5-cyanobenzimidazol-1-yl)acetate

C11H9N3O2 — CID 10798711

IUPACmethyl 2-(5-cyanobenzimidazol-1-yl)acetate
SMILESCOC(=O)Cn1cnc2cc(C#N)ccc21
InChIInChI=1S/C11H9N3O2/c1-16-11(15)6-14-7-13-9-4-8(5-12)2-3-10(9)14/h2-4,7H,6H2,1H3
InChIKeyUNZXEYYDYPBXHD-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.08
Rot. Bonds2

About methyl 2-(5-cyanobenzimidazol-1-yl)acetate

methyl 2-(5-cyanobenzimidazol-1-yl)acetate (PubChem CID 10798711) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is methyl 2-(5-cyanobenzimidazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-cyanobenzimidazol-1-yl)acetate
PubChem CID10798711
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Namemethyl 2-(5-cyanobenzimidazol-1-yl)acetate
SMILESCOC(=O)Cn1cnc2cc(C#N)ccc21
InChIInChI=1S/C11H9N3O2/c1-16-11(15)6-14-7-13-9-4-8(5-12)2-3-10(9)14/h2-4,7H,6H2,1H3
InChIKeyUNZXEYYDYPBXHD-UHFFFAOYSA-N
XLogP1.08
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(5-cyanobenzimidazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-prop-2-ynylbenzimidazole-5-carbonitrile
CID 134298627
1-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 142258213
1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile
CID 67607206
1-[(4-diethoxyphosphorylphenyl)methyl]benzimidazole-5-carbonitrile
CID 155195380
1-[(4-diethoxyphosphorylphenyl)methyl]benzimidazole-5-carbonitrile;3-[(4-diethoxyphosphorylphenyl)methyl]benzimidazole-5-carbonitrile
CID 167617732
[2-(4-cyanoanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 4257908
methyl 2-(3-cyano-1,2,4-triazol-4-yl)acetate
CID 131154678
3-(4-hydroxybutyl)benzimidazole-5-carbonitrile
CID 58655947
tert-butyl 2-(5-bromobenzimidazol-1-yl)acetate
CID 139271906
methyl 3-(2-amino-6-cyanobenzimidazol-1-yl)propanoate
CID 104714869
methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 122149581
1-[2-(methylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 28524828

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-cyanobenzimidazol-1-yl)acetate?
The IUPAC name of methyl 2-(5-cyanobenzimidazol-1-yl)acetate (CID 10798711) is methyl 2-(5-cyanobenzimidazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-cyanobenzimidazol-1-yl)acetate?
The canonical SMILES for methyl 2-(5-cyanobenzimidazol-1-yl)acetate is COC(=O)Cn1cnc2cc(C#N)ccc21.
What is the InChIKey of methyl 2-(5-cyanobenzimidazol-1-yl)acetate?
The InChIKey is UNZXEYYDYPBXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-16-11(15)6-14-7-13-9-4-8(5-12)2-3-10(9)14/h2-4,7H,6H2,1H3.
What are the key properties of methyl 2-(5-cyanobenzimidazol-1-yl)acetate?
methyl 2-(5-cyanobenzimidazol-1-yl)acetate has a molecular weight of 215.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-cyanobenzimidazol-1-yl)acetate is sourced from PubChem (CID 10798711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).