benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate

C19H19N3O3 — CID 43063893

IUPACbenzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate
SMILESCC(C(=O)NCC(=O)OCc1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C19H19N3O3/c1-14(22-13-21-16-9-5-6-10-17(16)22)19(24)20-11-18(23)25-12-15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,20,24)
InChIKeyZGWRLIVWZVSKGC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.46
Rot. Bonds6

About benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate

benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate (PubChem CID 43063893) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate.

Molecular Properties

Compound Namebenzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate
PubChem CID43063893
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namebenzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate
SMILESCC(C(=O)NCC(=O)OCc1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C19H19N3O3/c1-14(22-13-21-16-9-5-6-10-17(16)22)19(24)20-11-18(23)25-12-15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,20,24)
InChIKeyZGWRLIVWZVSKGC-UHFFFAOYSA-N
XLogP2.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876740
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986
2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115968731
(2S)-2-(benzimidazol-1-yl)-N-[4-(4-chlorophenoxy)butyl]propanamide
CID 51729342
methyl 3-(benzimidazol-1-yl)butanoate
CID 43536389
benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate
CID 159493604
benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate
CID 30396801
(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 39059871
(2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide
CID 51950236

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate?
The IUPAC name of benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate (CID 43063893) is benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate.
What is the SMILES notation for benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate?
The canonical SMILES for benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate is CC(C(=O)NCC(=O)OCc1ccccc1)n1cnc2ccccc21.
What is the InChIKey of benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate?
The InChIKey is ZGWRLIVWZVSKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-14(22-13-21-16-9-5-6-10-17(16)22)19(24)20-11-18(23)25-12-15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,20,24).
What are the key properties of benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate?
benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate has a molecular weight of 337.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate is sourced from PubChem (CID 43063893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).