2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate

C12H14N2O3 — CID 54016386

IUPAC2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate
SMILESO=C(CCn1cnc2ccccc21)OCCO
InChIInChI=1S/C12H14N2O3/c15-7-8-17-12(16)5-6-14-9-13-10-3-1-2-4-11(10)14/h1-4,9,15H,5-8H2
InChIKeyKVXMCTPDONGMPF-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.96
Rot. Bonds5

About 2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate

2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate (PubChem CID 54016386) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate
PubChem CID54016386
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate
SMILESO=C(CCn1cnc2ccccc21)OCCO
InChIInChI=1S/C12H14N2O3/c15-7-8-17-12(16)5-6-14-9-13-10-3-1-2-4-11(10)14/h1-4,9,15H,5-8H2
InChIKeyKVXMCTPDONGMPF-UHFFFAOYSA-N
XLogP0.96
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-(benzimidazol-1-yl)butanoate
CID 154459478
2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
CID 166930267
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
CID 107362610
2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63914686
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
cyclohexyl 4-(benzimidazol-1-yl)butanoate
CID 58743722
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate
CID 58743695
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate?
The IUPAC name of 2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate (CID 54016386) is 2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate.
What is the SMILES notation for 2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate?
The canonical SMILES for 2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate is O=C(CCn1cnc2ccccc21)OCCO.
What is the InChIKey of 2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate?
The InChIKey is KVXMCTPDONGMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-7-8-17-12(16)5-6-14-9-13-10-3-1-2-4-11(10)14/h1-4,9,15H,5-8H2.
What are the key properties of 2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate?
2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate has a molecular weight of 234.25 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate is sourced from PubChem (CID 54016386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).