2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid

C11H9ClN2O2 — CID 82476530

IUPAC2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H9ClN2O2/c12-8-1-3-10(4-2-8)14-6-9(13-7-14)5-11(15)16/h1-4,6-7H,5H2,(H,15,16)
InChIKeyOMMCIAFKAMSFDZ-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.15
Rot. Bonds3

About 2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid

2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid (PubChem CID 82476530) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid
PubChem CID82476530
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H9ClN2O2/c12-8-1-3-10(4-2-8)14-6-9(13-7-14)5-11(15)16/h1-4,6-7H,5H2,(H,15,16)
InChIKeyOMMCIAFKAMSFDZ-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid (CID 82476530) is 2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid is O=C(O)Cc1cn(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid?
The InChIKey is OMMCIAFKAMSFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-8-1-3-10(4-2-8)14-6-9(13-7-14)5-11(15)16/h1-4,6-7H,5H2,(H,15,16).
What are the key properties of 2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid?
2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid has a molecular weight of 236.66 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid is sourced from PubChem (CID 82476530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).