2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate

C15H20N2O4 — CID 82161929

IUPAC2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
SMILESCCCOCCOC(=O)Cn1c(CO)nc2ccccc21
InChIInChI=1S/C15H20N2O4/c1-2-7-20-8-9-21-15(19)10-17-13-6-4-3-5-12(13)16-14(17)11-18/h3-6,18H,2,7-11H2,1H3
InChIKeyYDQSKWUJTUOTST-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.50
Rot. Bonds8

About 2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate

2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate (PubChem CID 82161929) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Name2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
PubChem CID82161929
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
SMILESCCCOCCOC(=O)Cn1c(CO)nc2ccccc21
InChIInChI=1S/C15H20N2O4/c1-2-7-20-8-9-21-15(19)10-17-13-6-4-3-5-12(13)16-14(17)11-18/h3-6,18H,2,7-11H2,1H3
InChIKeyYDQSKWUJTUOTST-UHFFFAOYSA-N
XLogP1.50
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 16995330
tert-butyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 110885675
butyl 2-[2-(2-amino-2-sulfanylideneethyl)benzimidazol-1-yl]acetate
CID 63638778
methyl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995551
N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 16995334
propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
CID 63637880
hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
CID 82359428
[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995553
ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976016
[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol
CID 2945062
ethyl 2-[2-[3-(2-methylprop-2-enoylamino)propyl]benzimidazol-1-yl]acetate
CID 16987010

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate?
The IUPAC name of 2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate (CID 82161929) is 2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for 2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate?
The canonical SMILES for 2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate is CCCOCCOC(=O)Cn1c(CO)nc2ccccc21.
What is the InChIKey of 2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate?
The InChIKey is YDQSKWUJTUOTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-7-20-8-9-21-15(19)10-17-13-6-4-3-5-12(13)16-14(17)11-18/h3-6,18H,2,7-11H2,1H3.
What are the key properties of 2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate?
2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate has a molecular weight of 292.34 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 82161929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).