3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid

C12H12N2O2 — CID 759856

IUPAC3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)O
InChIInChI=1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16/h2-9H,1H3,(H,15,16)/t9-/m1/s1
InChIKeyRGYCCBLTSWHXIS-SECBINFHSA-N
MW216.24 g/mol
LogP2.19
Rot. Bonds3

About 3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid

3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid (PubChem CID 759856) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid
PubChem CID759856
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)O
InChIInChI=1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16/h2-9H,1H3,(H,15,16)/t9-/m1/s1
InChIKeyRGYCCBLTSWHXIS-SECBINFHSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1R)-1-phenylethyl]imidazole-4-carboxylic 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

Etomidate
CID 667484
Ethnor
CID 36339
Metomidate
CID 21474
Methyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride
CID 118264
1H-Imidazole-5-carboxylic acid, 1-((1S)-1-phenylethyl)-, ethyl ester
CID 6338045
Propyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
CID 65591
2-phenyl-1H-imidazole-4-carboxylic acid
CID 2738139
Iodometomidate i-123, R-
CID 11660398
Methyl 1-(phenylmethyl)-1H-imidazole-5-carboxylate
CID 96879
Abp-700
CID 71481187
Ethyl 5-Amino-1-benzyl-1H-imidazole-4-carboxylate
CID 2815691
1-Benzyl-5-hydroxymethyl-1H-imidazole
CID 2773235

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid?
The IUPAC name of 3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid (CID 759856) is 3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid is C[C@H](c1ccccc1)n1cncc1C(=O)O.
What is the InChIKey of 3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid?
The InChIKey is RGYCCBLTSWHXIS-SECBINFHSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16/h2-9H,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid?
3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 759856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).