benzyl 2-ethylimidazole-1-carboxylate

C13H14N2O2 — CID 23385831

IUPACbenzyl 2-ethylimidazole-1-carboxylate
SMILESCCc1nccn1C(=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O2/c1-2-12-14-8-9-15(12)13(16)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyUJPZRECNLBORMJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.63
Rot. Bonds3

About benzyl 2-ethylimidazole-1-carboxylate

benzyl 2-ethylimidazole-1-carboxylate (PubChem CID 23385831) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is benzyl 2-ethylimidazole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-ethylimidazole-1-carboxylate
PubChem CID23385831
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namebenzyl 2-ethylimidazole-1-carboxylate
SMILESCCc1nccn1C(=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O2/c1-2-12-14-8-9-15(12)13(16)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyUJPZRECNLBORMJ-UHFFFAOYSA-N
XLogP2.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 2-ethylimidazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-propylimidazole-1-carboxylate
CID 67949202
benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90561830
ethyl 2-(2-ethylimidazol-1-yl)-2-oxoacetate
CID 110461523
(2-ethylimidazol-1-yl)-(2-methoxyphenyl)methanone
CID 110463081
benzyl 3-[1-(2-ethoxy-2-oxoethyl)imidazol-2-yl]propanoate
CID 134434153
(2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone
CID 110462638
benzyl 2-(bromomethyl)pyrrole-1-carboxylate
CID 19421238
(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone
CID 110462577
(4-nitrophenyl) 2-ethylimidazole-1-carboxylate
CID 139898833
benzyl 1-ethylimidazole-2-carboxylate tetrafluoroborate
CID 21251925
benzyl 3-pyridin-2-ylazetidine-1-carboxylate
CID 146649299
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276

Frequently Asked Questions

What is the IUPAC name of benzyl 2-ethylimidazole-1-carboxylate?
The IUPAC name of benzyl 2-ethylimidazole-1-carboxylate (CID 23385831) is benzyl 2-ethylimidazole-1-carboxylate.
What is the SMILES notation for benzyl 2-ethylimidazole-1-carboxylate?
The canonical SMILES for benzyl 2-ethylimidazole-1-carboxylate is CCc1nccn1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-ethylimidazole-1-carboxylate?
The InChIKey is UJPZRECNLBORMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-12-14-8-9-15(12)13(16)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of benzyl 2-ethylimidazole-1-carboxylate?
benzyl 2-ethylimidazole-1-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-ethylimidazole-1-carboxylate is sourced from PubChem (CID 23385831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).