1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid

C12H11ClN2O2 — CID 69295233

IUPAC1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1CCc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O2/c13-10-3-1-9(2-4-10)5-7-15-8-6-14-11(15)12(16)17/h1-4,6,8H,5,7H2,(H,16,17)
InChIKeyYTYDQDGAQVJVGG-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid

1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid (PubChem CID 69295233) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid
PubChem CID69295233
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1CCc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O2/c13-10-3-1-9(2-4-10)5-7-15-8-6-14-11(15)12(16)17/h1-4,6,8H,5,7H2,(H,16,17)
InChIKeyYTYDQDGAQVJVGG-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z)-2-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2-hydroxyiminoacetic acid
CID 137315757
1-[3-(4-hydroxyphenyl)propyl]imidazole-2-carboxylic acid;hydrate
CID 13478007
1-[(4-cyanophenyl)methyl]imidazole-2-carboxylic acid
CID 91437687
(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol
CID 155289364
[4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone
CID 116577736
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide
CID 82558055
1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol
CID 142479711
3-[2-(4-chlorophenyl)ethyl]benzimidazole-5-carboxylic acid
CID 82769086
1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine
CID 106568112
1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol
CID 135388186
1-(cyclopentylmethyl)imidazole-2-carboxylic acid
CID 84665405
3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one
CID 142479484

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid (CID 69295233) is 1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid is O=C(O)c1nccn1CCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid?
The InChIKey is YTYDQDGAQVJVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-10-3-1-9(2-4-10)5-7-15-8-6-14-11(15)12(16)17/h1-4,6,8H,5,7H2,(H,16,17).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid?
1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid has a molecular weight of 250.69 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid is sourced from PubChem (CID 69295233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).