ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate

C12H13N3O2 — CID 142689254

IUPACethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(-c2ccncc2)[nH]1
InChIInChI=1S/C12H13N3O2/c1-2-17-11(16)7-10-8-14-12(15-10)9-3-5-13-6-4-9/h3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyHKRNBSBNOFPGTE-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.58
Rot. Bonds4

About ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate

ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate (PubChem CID 142689254) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate
PubChem CID142689254
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Nameethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(-c2ccncc2)[nH]1
InChIInChI=1S/C12H13N3O2/c1-2-17-11(16)7-10-8-14-12(15-10)9-3-5-13-6-4-9/h3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyHKRNBSBNOFPGTE-UHFFFAOYSA-N
XLogP1.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate
CID 141122236
N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide
CID 59698732
2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82288733
ethyl 2-(4-isocyano-3-pyridinyl)acetate
CID 166495019
[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1H-imidazol-5-yl]methyl 2-methylpropanoate
CID 10295000
[4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate
CID 156905483
methyl 3,3-dimethyl-5-(2-phenyl-1H-imidazol-5-yl)pentanoate
CID 147807943
ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 11953523
ethyl 7-oxo-2-pyridin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 14318721
ethyl 2-isoquinolin-6-ylacetate
CID 53408596
ethyl 4-methyl-3-pyridin-4-ylhexanoate
CID 171748001
ethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate
CID 125452080

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate?
The IUPAC name of ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate (CID 142689254) is ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate is CCOC(=O)Cc1cnc(-c2ccncc2)[nH]1.
What is the InChIKey of ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate?
The InChIKey is HKRNBSBNOFPGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-17-11(16)7-10-8-14-12(15-10)9-3-5-13-6-4-9/h3-6,8H,2,7H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate?
ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate has a molecular weight of 231.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate is sourced from PubChem (CID 142689254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).