methyl 3-(3-benzylimidazol-4-yl)propanoate

C14H16N2O2 — CID 14535954

IUPACmethyl 3-(3-benzylimidazol-4-yl)propanoate
SMILESCOC(=O)CCc1cncn1Cc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)8-7-13-9-15-11-16(13)10-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3
InChIKeyFEWHBUJYQHXFMV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.04
Rot. Bonds5

About methyl 3-(3-benzylimidazol-4-yl)propanoate

methyl 3-(3-benzylimidazol-4-yl)propanoate (PubChem CID 14535954) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 3-(3-benzylimidazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-benzylimidazol-4-yl)propanoate
PubChem CID14535954
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 3-(3-benzylimidazol-4-yl)propanoate
SMILESCOC(=O)CCc1cncn1Cc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)8-7-13-9-15-11-16(13)10-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3
InChIKeyFEWHBUJYQHXFMV-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

Analyze methyl 3-(3-benzylimidazol-4-yl)propanoate 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

methyl (2S)-2-(benzylamino)-3-(1H-imidazol-4-yl)propanoate
CID 7017202
5-Methyl-1-(phenylmethyl)imidazole-2-carboxylic acid
CID 84015978
Benzyl-methyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10802230
3-(1-Benzyl-1H-imidazol-5-yl)-1-propanol
CID 45103805
2-[[2-[[(2s)-3-(3h-Imidazol-4-Yl)-1-Methoxy-1-Oxo-Propan-2-Yl]amino]-2-Oxo-Ethyl]-(Phenylmethyl)amino]ethanoic Acid
CID 53378106
(2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dimethylphenyl)methyl]-1H-imidazol-5-yl}ethyl]amino}-4-methylpentanoic acid
CID 24776247
Methyl 3-[1-(4-cyanobenzyl)-5-imidazolyl]propionate
CID 18785133
(S)-2-(2-aminoethylamino)-3-(1-benzyl-1H-imidazol-4-yl)propanoic acid
CID 23730941
3-[1-(4-Fluorobenzyl)-1H-imidazol-5-yl]-1-propanol
CID 44206480
Methyl 3-[1-(4-Bromobenzyl)-1H-imidazol-5-yl]-propanoate
CID 44206481
Methyl 3-[1-(4-Fluorobenzyl)-1H-imidazol-5-yl]-propanoate
CID 45103704
2-(5-phenyl-1H-imidazol-1-yl)acetic acid
CID 69405529

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-benzylimidazol-4-yl)propanoate?
The IUPAC name of methyl 3-(3-benzylimidazol-4-yl)propanoate (CID 14535954) is methyl 3-(3-benzylimidazol-4-yl)propanoate.
What is the SMILES notation for methyl 3-(3-benzylimidazol-4-yl)propanoate?
The canonical SMILES for methyl 3-(3-benzylimidazol-4-yl)propanoate is COC(=O)CCc1cncn1Cc1ccccc1.
What is the InChIKey of methyl 3-(3-benzylimidazol-4-yl)propanoate?
The InChIKey is FEWHBUJYQHXFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-14(17)8-7-13-9-15-11-16(13)10-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3.
What are the key properties of methyl 3-(3-benzylimidazol-4-yl)propanoate?
methyl 3-(3-benzylimidazol-4-yl)propanoate 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 methyl 3-(3-benzylimidazol-4-yl)propanoate is sourced from PubChem (CID 14535954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).