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

C12H11ClN2O2 — CID 139436729

IUPAC2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid
SMILESC[C@H](c1ccccc1)n1c(C(=O)O)cnc1Cl
InChIInChI=1S/C12H11ClN2O2/c1-8(9-5-3-2-4-6-9)15-10(11(16)17)7-14-12(15)13/h2-8H,1H3,(H,16,17)/t8-/m1/s1
InChIKeyUNZVGYMOAJFKBO-MRVPVSSYSA-N
MW250.69 g/mol
LogP2.84
Rot. Bonds3

About 2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid

2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid (PubChem CID 139436729) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid
PubChem CID139436729
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid
SMILESC[C@H](c1ccccc1)n1c(C(=O)O)cnc1Cl
InChIInChI=1S/C12H11ClN2O2/c1-8(9-5-3-2-4-6-9)15-10(11(16)17)7-14-12(15)13/h2-8H,1H3,(H,16,17)/t8-/m1/s1
InChIKeyUNZVGYMOAJFKBO-MRVPVSSYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-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

ethyl 2-chloro-3-(1-phenylethyl)imidazole-4-carboxylate
CID 145288794
1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid
CID 45480522
methyl 2-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 139436740
3-fluoro-1-(1-phenylethyl)pyrazole-5-carboxylic acid
CID 155893876
3-[1-(4-iodophenyl)ethyl]imidazole-4-carboxylic acid
CID 18442038
2-(methylamino)-3-propan-2-ylimidazole-4-carboxylic acid
CID 84659028
5-bromo-2-chloro-3-[1-(4-fluorophenyl)ethyl]pyrimidin-4-one
CID 58110763
2-bromo-5-fluoro-3-(1-phenylethyl)imidazole-4-carboxylic acid
CID 174996571
4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one
CID 91177320
3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid
CID 12798407
1-[(1S)-1-phenylethyl]pyrazole-4-carbonyl chloride
CID 58117230
3-benzhydrylimidazole-4-carboxylic acid;hydrochloride
CID 70597369

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid?
The IUPAC name of 2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid (CID 139436729) is 2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid is C[C@H](c1ccccc1)n1c(C(=O)O)cnc1Cl.
What is the InChIKey of 2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid?
The InChIKey is UNZVGYMOAJFKBO-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8(9-5-3-2-4-6-9)15-10(11(16)17)7-14-12(15)13/h2-8H,1H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid?
2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid has a molecular weight of 250.69 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 139436729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).