2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid

C18H16N2O3 — CID 82560569

IUPAC2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
SMILESCOc1cccc(-c2nccn2Cc2ccccc2C(=O)O)c1
InChIInChI=1S/C18H16N2O3/c1-23-15-7-4-6-13(11-15)17-19-9-10-20(17)12-14-5-2-3-8-16(14)18(21)22/h2-11H,12H2,1H3,(H,21,22)
InChIKeyKKLRFLSMMQTYOL-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.31
Rot. Bonds5

About 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid

2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid (PubChem CID 82560569) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
PubChem CID82560569
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
SMILESCOc1cccc(-c2nccn2Cc2ccccc2C(=O)O)c1
InChIInChI=1S/C18H16N2O3/c1-23-15-7-4-6-13(11-15)17-19-9-10-20(17)12-14-5-2-3-8-16(14)18(21)22/h2-11H,12H2,1H3,(H,21,22)
InChIKeyKKLRFLSMMQTYOL-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic 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-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560728
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
CID 82559128
methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate
CID 82561345
2-[[2-(4-tert-butylphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560688
2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560539
2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole
CID 91101253
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid
CID 82559982
2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560852
3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
2-[[(3S)-3-[2-(3-methoxyphenyl)-4-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 95125885
1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
CID 82562089
1-[(2-chlorophenyl)methyl]-2-(5-methoxy-2-phenylphenyl)imidazole
CID 90791888

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid?
The IUPAC name of 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid (CID 82560569) is 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid is COc1cccc(-c2nccn2Cc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid?
The InChIKey is KKLRFLSMMQTYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-15-7-4-6-13(11-15)17-19-9-10-20(17)12-14-5-2-3-8-16(14)18(21)22/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid?
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid has a molecular weight of 308.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 82560569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).