ethyl 2-(1-benzylimidazol-2-yl)acetate

C14H16N2O2 — CID 13001456

IUPACethyl 2-(1-benzylimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)10-13-15-8-9-16(13)11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3
InChIKeyBOESBLDUIUDORC-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.04
Rot. Bonds5

About ethyl 2-(1-benzylimidazol-2-yl)acetate

ethyl 2-(1-benzylimidazol-2-yl)acetate (PubChem CID 13001456) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 2-(1-benzylimidazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzylimidazol-2-yl)acetate
PubChem CID13001456
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 2-(1-benzylimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)10-13-15-8-9-16(13)11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3
InChIKeyBOESBLDUIUDORC-UHFFFAOYSA-N
XLogP2.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzylimidazol-2-yl)acetate?
The IUPAC name of ethyl 2-(1-benzylimidazol-2-yl)acetate (CID 13001456) is ethyl 2-(1-benzylimidazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1-benzylimidazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(1-benzylimidazol-2-yl)acetate is CCOC(=O)Cc1nccn1Cc1ccccc1.
What is the InChIKey of ethyl 2-(1-benzylimidazol-2-yl)acetate?
The InChIKey is BOESBLDUIUDORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-18-14(17)10-13-15-8-9-16(13)11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3.
What are the key properties of ethyl 2-(1-benzylimidazol-2-yl)acetate?
ethyl 2-(1-benzylimidazol-2-yl)acetate has a molecular weight of 244.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzylimidazol-2-yl)acetate is sourced from PubChem (CID 13001456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).