2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid

C19H18N2O4 — CID 82560728

IUPAC2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid
SMILESCOc1cc(OC)cc(-c2nccn2Cc2ccccc2C(=O)O)c1
InChIInChI=1S/C19H18N2O4/c1-24-15-9-14(10-16(11-15)25-2)18-20-7-8-21(18)12-13-5-3-4-6-17(13)19(22)23/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyDRYNRIGISSXXJC-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.31
Rot. Bonds6

About 2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid

2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid (PubChem CID 82560728) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid
PubChem CID82560728
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid
SMILESCOc1cc(OC)cc(-c2nccn2Cc2ccccc2C(=O)O)c1
InChIInChI=1S/C19H18N2O4/c1-24-15-9-14(10-16(11-15)25-2)18-20-7-8-21(18)12-13-5-3-4-6-17(13)19(22)23/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyDRYNRIGISSXXJC-UHFFFAOYSA-N
XLogP3.31
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560569
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-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560852
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid
CID 82559982
methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate
CID 82561345
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
CID 82559128
[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559570
5-methyl-4-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 80727244
2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid
CID 10756617
2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole
CID 91101253
benzene-1,2,4-tricarboxylic acid;tris(1-benzyl-2-phenylimidazole)
CID 173037307

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid?
The IUPAC name of 2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid (CID 82560728) is 2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid is COc1cc(OC)cc(-c2nccn2Cc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid?
The InChIKey is DRYNRIGISSXXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-15-9-14(10-16(11-15)25-2)18-20-7-8-21(18)12-13-5-3-4-6-17(13)19(22)23/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of 2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid?
2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid has a molecular weight of 338.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 82560728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).