4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid

C18H16N2O3 — CID 82560557

IUPAC4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
SMILESCOc1ccccc1-c1nccn1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H16N2O3/c1-23-16-5-3-2-4-15(16)17-19-10-11-20(17)12-13-6-8-14(9-7-13)18(21)22/h2-11H,12H2,1H3,(H,21,22)
InChIKeyNBDDSFSVTSVATJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.31
Rot. Bonds5

About 4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid

4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid (PubChem CID 82560557) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
PubChem CID82560557
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
SMILESCOc1ccccc1-c1nccn1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H16N2O3/c1-23-16-5-3-2-4-15(16)17-19-10-11-20(17)12-13-6-8-14(9-7-13)18(21)22/h2-11H,12H2,1H3,(H,21,22)
InChIKeyNBDDSFSVTSVATJ-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

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Related Compounds

4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560528
methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate
CID 82561375
4-[[2-(3-acetamidophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82559468
benzene-1,2,4-tricarboxylic acid;tris(1-benzyl-2-phenylimidazole)
CID 173037307
[4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82559746
4-[(5,6-dimethoxybenzimidazol-1-yl)methyl]benzoic acid
CID 94723431
2-(2,3-difluoro-4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 56863534
4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol
CID 82560831
3-ethyl-2-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 22380033
N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide
CID 131901666
3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid
CID 79732848
(1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 58962556

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid?
The IUPAC name of 4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid (CID 82560557) is 4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid is COc1ccccc1-c1nccn1Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid?
The InChIKey is NBDDSFSVTSVATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-16-5-3-2-4-15(16)17-19-10-11-20(17)12-13-6-8-14(9-7-13)18(21)22/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of 4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid?
4-[[2-(2-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 4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 82560557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).