methyl 2-benzyl-3-imidazol-1-ylpropanoate

C14H16N2O2 — CID 15018129

IUPACmethyl 2-benzyl-3-imidazol-1-ylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)Cn1ccnc1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)13(10-16-8-7-15-11-16)9-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3
InChIKeyYJSODXXXOVAVFK-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.91
Rot. Bonds5

About methyl 2-benzyl-3-imidazol-1-ylpropanoate

methyl 2-benzyl-3-imidazol-1-ylpropanoate (PubChem CID 15018129) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-benzyl-3-imidazol-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-benzyl-3-imidazol-1-ylpropanoate
PubChem CID15018129
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 2-benzyl-3-imidazol-1-ylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)Cn1ccnc1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)13(10-16-8-7-15-11-16)9-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3
InChIKeyYJSODXXXOVAVFK-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-benzyl-3-imidazol-1-ylpropanoate 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

2-benzyl-3-imidazol-1-ylpropanoic acid
CID 15018131
methyl 2-benzyl-3-pyrazol-1-ylpropanoate
CID 22910248
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199
2-benzyl-6-imidazol-1-ylhexanoic acid
CID 70440938
methyl 2-(1,3-dioxoisoindol-2-yl)-3-imidazol-1-ylpropanoate
CID 54174040
methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
CID 134136445
methyl 2-benzyl-5-methyl-4-oxohexanoate
CID 58307925
methyl 2-benzyl-4-oxobutanoate
CID 10608348
1-(2-benzyl-4-phenylbutyl)imidazole
CID 70559586
(2-imidazol-1-yl-1-phenylethyl) acetate
CID 3242727
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzyl-3-imidazol-1-ylpropanoate?
The IUPAC name of methyl 2-benzyl-3-imidazol-1-ylpropanoate (CID 15018129) is methyl 2-benzyl-3-imidazol-1-ylpropanoate.
What is the SMILES notation for methyl 2-benzyl-3-imidazol-1-ylpropanoate?
The canonical SMILES for methyl 2-benzyl-3-imidazol-1-ylpropanoate is COC(=O)C(Cc1ccccc1)Cn1ccnc1.
What is the InChIKey of methyl 2-benzyl-3-imidazol-1-ylpropanoate?
The InChIKey is YJSODXXXOVAVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-14(17)13(10-16-8-7-15-11-16)9-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3.
What are the key properties of methyl 2-benzyl-3-imidazol-1-ylpropanoate?
methyl 2-benzyl-3-imidazol-1-ylpropanoate has a molecular weight of 244.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzyl-3-imidazol-1-ylpropanoate is sourced from PubChem (CID 15018129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).