2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid

C12H11ClN2O2 — CID 171617121

IUPAC2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cn2ccnc2)cc1Cl
InChIInChI=1S/C12H11ClN2O2/c13-11-5-9(7-15-4-3-14-8-15)1-2-10(11)6-12(16)17/h1-5,8H,6-7H2,(H,16,17)
InChIKeyJXXRVXKTVXFGTC-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.21
Rot. Bonds4

About 2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid

2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid (PubChem CID 171617121) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid
PubChem CID171617121
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cn2ccnc2)cc1Cl
InChIInChI=1S/C12H11ClN2O2/c13-11-5-9(7-15-4-3-14-8-15)1-2-10(11)6-12(16)17/h1-5,8H,6-7H2,(H,16,17)
InChIKeyJXXRVXKTVXFGTC-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic 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

2-[3-fluoro-4-(imidazol-1-ylmethyl)phenyl]acetic acid
CID 171617123
2-(2,4-dichlorophenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 32557297
2-[4-(imidazol-1-ylmethyl)phenoxy]acetic acid
CID 12870444
[4-(imidazol-1-ylmethyl)phenyl]methyl hydrogen carbonate
CID 137392132
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 171357643
N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 38104555
1-[4-(imidazol-1-ylmethyl)phenyl]azetidine-3-carboxylic acid
CID 166452538
sodium;hydride;(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 173012997
1-[(3,4-dichlorophenyl)methyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917712
1-[(2,4-dichlorophenyl)methyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine
CID 111197666
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid (CID 171617121) is 2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid is O=C(O)Cc1ccc(Cn2ccnc2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid?
The InChIKey is JXXRVXKTVXFGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-11-5-9(7-15-4-3-14-8-15)1-2-10(11)6-12(16)17/h1-5,8H,6-7H2,(H,16,17).
What are the key properties of 2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid?
2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid has a molecular weight of 250.69 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid is sourced from PubChem (CID 171617121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).