3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid

C20H22N2O3 — CID 10337213

IUPAC3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid
SMILESCOc1ccc(C2N(Cc3ccccc3)C(C)=NC2(C)C(=O)O)cc1
InChIInChI=1S/C20H22N2O3/c1-14-21-20(2,19(23)24)18(16-9-11-17(25-3)12-10-16)22(14)13-15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,23,24)
InChIKeyQNPUBSGWLVMBED-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.51
Rot. Bonds5

About 3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid

3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid (PubChem CID 10337213) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid
PubChem CID10337213
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid
SMILESCOc1ccc(C2N(Cc3ccccc3)C(C)=NC2(C)C(=O)O)cc1
InChIInChI=1S/C20H22N2O3/c1-14-21-20(2,19(23)24)18(16-9-11-17(25-3)12-10-16)22(14)13-15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,23,24)
InChIKeyQNPUBSGWLVMBED-UHFFFAOYSA-N
XLogP3.51
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4R,5R)-3-benzyl-4-(4-methoxyphenyl)-2,5-diphenyl-4H-imidazole-5-carboxylate
CID 44591589
ethyl (4R,5R)-3-[(4-methoxyphenyl)methyl]-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 44591608
ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-4,5-diphenyl-4H-imidazole-5-carboxylate
CID 71762098
(5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid
CID 138032641
2-[4-Methoxy-3-[2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 44206397
5-benzyl-3-(4-fluorophenyl)-4-(4-methoxyphenyl)-4H-imidazole-5-carboxylic acid
CID 60100942
1-benzyl-2-(4-methoxyphenyl)-3-methyl-4-(3-methylphenyl)-5-(4-methylphenyl)-4H-imidazol-3-ium-5-carboxylate
CID 50942081
1-benzyl-3-(2-methoxyethyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-imidazol-3-ium-5-carboxylate
CID 50942269
(4S,5R)-3-benzyl-4-(4-methoxyphenyl)-2-methyl-5-phenyl-4H-imidazole-5-carboxylic acid
CID 135002733
(4S,5S)-3-benzyl-4-(4-methoxyphenyl)-2-methyl-5-phenyl-4H-imidazole-5-carboxylic acid
CID 135005210
Methyl 1-butyl-3-[(4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydroimidazol-3-ium-4-carboxylate
CID 135021740
methyl (4R,5S)-1-diphenylphosphoryl-5-(4-methoxyphenyl)-5-methyl-4H-imidazole-4-carboxylate
CID 135065394

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid?
The IUPAC name of 3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid (CID 10337213) is 3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid.
What is the SMILES notation for 3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid?
The canonical SMILES for 3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid is COc1ccc(C2N(Cc3ccccc3)C(C)=NC2(C)C(=O)O)cc1.
What is the InChIKey of 3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid?
The InChIKey is QNPUBSGWLVMBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-21-20(2,19(23)24)18(16-9-11-17(25-3)12-10-16)22(14)13-15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,23,24).
What are the key properties of 3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid?
3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(4-methoxyphenyl)-2,5-dimethyl-4H-imidazole-5-carboxylic acid is sourced from PubChem (CID 10337213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).