(1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate

C22H24N2O2 — CID 78858610

IUPAC(1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate
SMILESCCc1ccc(CCC(=O)OCc2nccn2Cc2ccccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-2-18-8-10-19(11-9-18)12-13-22(25)26-17-21-23-14-15-24(21)16-20-6-4-3-5-7-20/h3-11,14-15H,2,12-13,16-17H2,1H3
InChIKeyOELLXETVFZLPHY-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.17
Rot. Bonds8

About (1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate

(1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate (PubChem CID 78858610) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate.

Molecular Properties

Compound Name(1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate
PubChem CID78858610
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate
SMILESCCc1ccc(CCC(=O)OCc2nccn2Cc2ccccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-2-18-8-10-19(11-9-18)12-13-22(25)26-17-21-23-14-15-24(21)16-20-6-4-3-5-7-20/h3-11,14-15H,2,12-13,16-17H2,1H3
InChIKeyOELLXETVFZLPHY-UHFFFAOYSA-N
XLogP4.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-[1-(2-ethoxy-2-oxoethyl)imidazol-2-yl]propanoate
CID 134434153
(1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate
CID 60562892
(1-benzylimidazol-2-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate
CID 78858611
trans-(1-benzylimidazol-2-yl)methyl (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 95608797
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 134039594
(1-benzylimidazol-2-yl)methyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
CID 95343836
4-[(1-benzylimidazol-2-yl)methoxy]benzamide
CID 38897503
(1-benzylimidazol-2-yl)methyl 2-methyl-5-methylsulfanylbenzoate
CID 78858486
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide
CID 42819032
benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90561830
azane;benzyl 3-phenylpropanoate
CID 175136325
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499

Frequently Asked Questions

What is the IUPAC name of (1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate?
The IUPAC name of (1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate (CID 78858610) is (1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate.
What is the SMILES notation for (1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate?
The canonical SMILES for (1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate is CCc1ccc(CCC(=O)OCc2nccn2Cc2ccccc2)cc1.
What is the InChIKey of (1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate?
The InChIKey is OELLXETVFZLPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-18-8-10-19(11-9-18)12-13-22(25)26-17-21-23-14-15-24(21)16-20-6-4-3-5-7-20/h3-11,14-15H,2,12-13,16-17H2,1H3.
What are the key properties of (1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate?
(1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate has a molecular weight of 348.45 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate is sourced from PubChem (CID 78858610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).