propyl 2-(2-aminobenzimidazol-1-yl)propanoate

C13H17N3O2 — CID 82358921

IUPACpropyl 2-(2-aminobenzimidazol-1-yl)propanoate
SMILESCCCOC(=O)C(C)n1c(N)nc2ccccc21
InChIInChI=1S/C13H17N3O2/c1-3-8-18-12(17)9(2)16-11-7-5-4-6-10(11)15-13(16)14/h4-7,9H,3,8H2,1-2H3,(H2,14,15)
InChIKeyYLVLENPBIRZVLA-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.13
Rot. Bonds4

About propyl 2-(2-aminobenzimidazol-1-yl)propanoate

propyl 2-(2-aminobenzimidazol-1-yl)propanoate (PubChem CID 82358921) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is propyl 2-(2-aminobenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Namepropyl 2-(2-aminobenzimidazol-1-yl)propanoate
PubChem CID82358921
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Namepropyl 2-(2-aminobenzimidazol-1-yl)propanoate
SMILESCCCOC(=O)C(C)n1c(N)nc2ccccc21
InChIInChI=1S/C13H17N3O2/c1-3-8-18-12(17)9(2)16-11-7-5-4-6-10(11)15-13(16)14/h4-7,9H,3,8H2,1-2H3,(H2,14,15)
InChIKeyYLVLENPBIRZVLA-UHFFFAOYSA-N
XLogP2.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminobenzimidazol-1-yl)butan-2-one
CID 82358956
propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate
CID 82359019
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
propyl 2-carbazol-9-ylpropanoate
CID 20752206
methyl 2-(2-aminobenzimidazol-1-yl)butanoate
CID 82358918
ethyl 2-(2-amino-5-iodobenzimidazol-1-yl)propanoate
CID 66080797
2-methylpropyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]propanoate
CID 82161922
methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
CID 82359524
1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine
CID 64643418
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 82144571
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-aminobenzimidazol-1-yl)propanoate?
The IUPAC name of propyl 2-(2-aminobenzimidazol-1-yl)propanoate (CID 82358921) is propyl 2-(2-aminobenzimidazol-1-yl)propanoate.
What is the SMILES notation for propyl 2-(2-aminobenzimidazol-1-yl)propanoate?
The canonical SMILES for propyl 2-(2-aminobenzimidazol-1-yl)propanoate is CCCOC(=O)C(C)n1c(N)nc2ccccc21.
What is the InChIKey of propyl 2-(2-aminobenzimidazol-1-yl)propanoate?
The InChIKey is YLVLENPBIRZVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-8-18-12(17)9(2)16-11-7-5-4-6-10(11)15-13(16)14/h4-7,9H,3,8H2,1-2H3,(H2,14,15).
What are the key properties of propyl 2-(2-aminobenzimidazol-1-yl)propanoate?
propyl 2-(2-aminobenzimidazol-1-yl)propanoate has a molecular weight of 247.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-aminobenzimidazol-1-yl)propanoate is sourced from PubChem (CID 82358921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).