2-benzyl-3-imidazol-1-ylpropanoic acid

C13H14N2O2 — CID 15018131

IUPAC2-benzyl-3-imidazol-1-ylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Cn1ccnc1
InChIInChI=1S/C13H14N2O2/c16-13(17)12(9-15-7-6-14-10-15)8-11-4-2-1-3-5-11/h1-7,10,12H,8-9H2,(H,16,17)
InChIKeyKLVIOOMSHDIXFP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.83
Rot. Bonds5

About 2-benzyl-3-imidazol-1-ylpropanoic acid

2-benzyl-3-imidazol-1-ylpropanoic acid (PubChem CID 15018131) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-benzyl-3-imidazol-1-ylpropanoic acid.

Molecular Properties

Compound Name2-benzyl-3-imidazol-1-ylpropanoic acid
PubChem CID15018131
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-benzyl-3-imidazol-1-ylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Cn1ccnc1
InChIInChI=1S/C13H14N2O2/c16-13(17)12(9-15-7-6-14-10-15)8-11-4-2-1-3-5-11/h1-7,10,12H,8-9H2,(H,16,17)
InChIKeyKLVIOOMSHDIXFP-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-3-imidazol-1-ylpropanoic acid 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 2-benzyl-3-imidazol-1-ylpropanoate
CID 15018129
2-benzyl-6-imidazol-1-ylhexanoic acid
CID 70440938
(2S)-2-benzyl-3-pyrazol-1-ylpropanoic acid
CID 70046251
1-(2-benzyl-4-phenylbutyl)imidazole
CID 70559586
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199
tert-butyl N-[(2R,3R)-3-hydroxy-4-imidazol-1-yl-1-phenylbutan-2-yl]carbamate
CID 66703721
3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
CID 67720610
1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole
CID 70554395
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide
CID 102673648
2-amino-1-imidazol-1-yl-3-phenylpropan-1-one
CID 110463444
1-imidazol-1-yl-4-phenylbutan-2-one
CID 12816466

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-imidazol-1-ylpropanoic acid?
The IUPAC name of 2-benzyl-3-imidazol-1-ylpropanoic acid (CID 15018131) is 2-benzyl-3-imidazol-1-ylpropanoic acid.
What is the SMILES notation for 2-benzyl-3-imidazol-1-ylpropanoic acid?
The canonical SMILES for 2-benzyl-3-imidazol-1-ylpropanoic acid is O=C(O)C(Cc1ccccc1)Cn1ccnc1.
What is the InChIKey of 2-benzyl-3-imidazol-1-ylpropanoic acid?
The InChIKey is KLVIOOMSHDIXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13(17)12(9-15-7-6-14-10-15)8-11-4-2-1-3-5-11/h1-7,10,12H,8-9H2,(H,16,17).
What are the key properties of 2-benzyl-3-imidazol-1-ylpropanoic acid?
2-benzyl-3-imidazol-1-ylpropanoic acid has a molecular weight of 230.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-imidazol-1-ylpropanoic acid is sourced from PubChem (CID 15018131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).