ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate

C12H14N2O3 — CID 83441215

IUPACethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate
SMILESCCOC(=O)C(O)c1nc2ccccc2n1C
InChIInChI=1S/C12H14N2O3/c1-3-17-12(16)10(15)11-13-8-6-4-5-7-9(8)14(11)2/h4-7,10,15H,3H2,1-2H3
InChIKeyIAKVJKCTUBYWLE-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.17
Rot. Bonds3

About ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate

ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate (PubChem CID 83441215) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate
PubChem CID83441215
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate
SMILESCCOC(=O)C(O)c1nc2ccccc2n1C
InChIInChI=1S/C12H14N2O3/c1-3-17-12(16)10(15)11-13-8-6-4-5-7-9(8)14(11)2/h4-7,10,15H,3H2,1-2H3
InChIKeyIAKVJKCTUBYWLE-UHFFFAOYSA-N
XLogP1.17
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-methyl-2-(1-methylbenzimidazol-2-yl)butanoate
CID 79474556
1-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 17027803
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
ethyl 2-(1-propylbenzimidazol-2-yl)propanoate
CID 79475436
ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate
CID 79474558
ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate
CID 79480777
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate
CID 79480772
ethyl 2-(6-chloro-1-methylbenzimidazol-2-yl)butanoate
CID 113316506
(R)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797343
(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797340
ethyl 2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetate
CID 13457848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate (CID 83441215) is ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate is CCOC(=O)C(O)c1nc2ccccc2n1C.
What is the InChIKey of ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate?
The InChIKey is IAKVJKCTUBYWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-17-12(16)10(15)11-13-8-6-4-5-7-9(8)14(11)2/h4-7,10,15H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate?
ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate has a molecular weight of 234.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate is sourced from PubChem (CID 83441215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).