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

C11H9ClN2O2 — CID 83897346

IUPAC2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid
SMILESO=C(O)Cc1nccn1-c1ccccc1Cl
InChIInChI=1S/C11H9ClN2O2/c12-8-3-1-2-4-9(8)14-6-5-13-10(14)7-11(15)16/h1-6H,7H2,(H,15,16)
InChIKeyGBKMITJXNMPDFM-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.15
Rot. Bonds3

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

2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid (PubChem CID 83897346) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid
PubChem CID83897346
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid
SMILESO=C(O)Cc1nccn1-c1ccccc1Cl
InChIInChI=1S/C11H9ClN2O2/c12-8-3-1-2-4-9(8)14-6-5-13-10(14)7-11(15)16/h1-6H,7H2,(H,15,16)
InChIKeyGBKMITJXNMPDFM-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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Related Compounds

2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid
CID 82560014
2-[2-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]acetic acid
CID 98022813
[1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine
CID 82286820
1-(2-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-one
CID 114529460
1-(2-chlorophenyl)-2-(difluoromethyl)imidazole
CID 171489259
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272
2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
CID 68723222
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
CID 82131774
1-(2-chlorophenyl)imidazole-4-carboxylic acid
CID 62058406
3-[1-(2,6-dimethylphenyl)imidazol-2-yl]propanoic acid
CID 82294272
1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783517

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid (CID 83897346) is 2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid is O=C(O)Cc1nccn1-c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid?
The InChIKey is GBKMITJXNMPDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-8-3-1-2-4-9(8)14-6-5-13-10(14)7-11(15)16/h1-6H,7H2,(H,15,16).
What are the key properties of 2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid?
2-[1-(2-chlorophenyl)imidazol-2-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-(2-chlorophenyl)imidazol-2-yl]acetic acid is sourced from PubChem (CID 83897346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).