2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide

C12H16N4O — CID 61480171

IUPAC2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1c(N)nc2ccccc21
InChIInChI=1S/C12H16N4O/c1-3-14-11(17)8(2)16-10-7-5-4-6-9(10)15-12(16)13/h4-8H,3H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyWGZRYOWZODFNGY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.32
Rot. Bonds3

About 2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide

2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide (PubChem CID 61480171) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
PubChem CID61480171
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1c(N)nc2ccccc21
InChIInChI=1S/C12H16N4O/c1-3-14-11(17)8(2)16-10-7-5-4-6-9(10)15-12(16)13/h4-8H,3H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyWGZRYOWZODFNGY-UHFFFAOYSA-N
XLogP1.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide?
The IUPAC name of 2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide (CID 61480171) is 2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide is CCNC(=O)C(C)n1c(N)nc2ccccc21.
What is the InChIKey of 2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide?
The InChIKey is WGZRYOWZODFNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-14-11(17)8(2)16-10-7-5-4-6-9(10)15-12(16)13/h4-8H,3H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide?
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide has a molecular weight of 232.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 61480171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).