methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate

C14H16N2O2 — CID 82561044

IUPACmethyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate
SMILESCOC(=O)Cn1ccnc1CCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)11-16-10-9-15-13(16)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeySRTYKCZHZPMVED-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.84
Rot. Bonds5

About methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate

methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate (PubChem CID 82561044) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate
PubChem CID82561044
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate
SMILESCOC(=O)Cn1ccnc1CCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)11-16-10-9-15-13(16)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeySRTYKCZHZPMVED-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[(3-aminophenyl)methyl]imidazol-1-yl]acetate
CID 82558676
methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
CID 62221436
benzyl 3-[1-(2-ethoxy-2-oxoethyl)imidazol-2-yl]propanoate
CID 134434153
methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate
CID 82561099
N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 82558274
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide
CID 82558055
2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine
CID 82558268
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate
CID 82561325
methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
CID 82561175
3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 57082680
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate (CID 82561044) is methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate is COC(=O)Cn1ccnc1CCc1ccccc1.
What is the InChIKey of methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate?
The InChIKey is SRTYKCZHZPMVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-14(17)11-16-10-9-15-13(16)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate?
methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate has a molecular weight of 244.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate is sourced from PubChem (CID 82561044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).