2-(2H-benzimidazol-5-yl)-N-methylacetamide

C10H11N3O — CID 70416209

IUPAC2-(2H-benzimidazol-5-yl)-N-methylacetamide
SMILESCNC(=O)Cc1ccc2c(c1)=NCN=2
InChIInChI=1S/C10H11N3O/c1-11-10(14)5-7-2-3-8-9(4-7)13-6-12-8/h2-4H,5-6H2,1H3,(H,11,14)
InChIKeyVZLHTYDXWDZZIW-UHFFFAOYSA-N
MW189.22 g/mol
LogP-0.81
Rot. Bonds2

About 2-(2H-benzimidazol-5-yl)-N-methylacetamide

2-(2H-benzimidazol-5-yl)-N-methylacetamide (PubChem CID 70416209) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(2H-benzimidazol-5-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2H-benzimidazol-5-yl)-N-methylacetamide
PubChem CID70416209
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(2H-benzimidazol-5-yl)-N-methylacetamide
SMILESCNC(=O)Cc1ccc2c(c1)=NCN=2
InChIInChI=1S/C10H11N3O/c1-11-10(14)5-7-2-3-8-9(4-7)13-6-12-8/h2-4H,5-6H2,1H3,(H,11,14)
InChIKeyVZLHTYDXWDZZIW-UHFFFAOYSA-N
XLogP-0.81
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-benzimidazol-5-yl)-N-methylacetamide?
The IUPAC name of 2-(2H-benzimidazol-5-yl)-N-methylacetamide (CID 70416209) is 2-(2H-benzimidazol-5-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2H-benzimidazol-5-yl)-N-methylacetamide?
The canonical SMILES for 2-(2H-benzimidazol-5-yl)-N-methylacetamide is CNC(=O)Cc1ccc2c(c1)=NCN=2.
What is the InChIKey of 2-(2H-benzimidazol-5-yl)-N-methylacetamide?
The InChIKey is VZLHTYDXWDZZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-11-10(14)5-7-2-3-8-9(4-7)13-6-12-8/h2-4H,5-6H2,1H3,(H,11,14).
What are the key properties of 2-(2H-benzimidazol-5-yl)-N-methylacetamide?
2-(2H-benzimidazol-5-yl)-N-methylacetamide has a molecular weight of 189.22 g/mol, XLogP of -0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-benzimidazol-5-yl)-N-methylacetamide is sourced from PubChem (CID 70416209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).