3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid

C25H24N2O3 — CID 10453609

IUPAC3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid
SMILESCOc1ccc(C2N(Cc3ccccc3)C(c3ccccc3)=NC2(C)C(=O)O)cc1
InChIInChI=1S/C25H24N2O3/c1-25(24(28)29)22(19-13-15-21(30-2)16-14-19)27(17-18-9-5-3-6-10-18)23(26-25)20-11-7-4-8-12-20/h3-16,22H,17H2,1-2H3,(H,28,29)
InChIKeyCULSRYBSZZFLTE-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.54
Rot. Bonds6

About 3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid

3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid (PubChem CID 10453609) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid
PubChem CID10453609
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid
SMILESCOc1ccc(C2N(Cc3ccccc3)C(c3ccccc3)=NC2(C)C(=O)O)cc1
InChIInChI=1S/C25H24N2O3/c1-25(24(28)29)22(19-13-15-21(30-2)16-14-19)27(17-18-9-5-3-6-10-18)23(26-25)20-11-7-4-8-12-20/h3-16,22H,17H2,1-2H3,(H,28,29)
InChIKeyCULSRYBSZZFLTE-UHFFFAOYSA-N
XLogP4.54
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.54
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
ethyl (4R,5R)-3-benzyl-4-(4-cyanophenyl)-2-(4-methoxyphenyl)-5-phenyl-4H-imidazole-5-carboxylate
CID 71762099
ethyl (4R,5R)-3-benzyl-4-(4-carbamoylphenyl)-2-(4-methoxyphenyl)-5-phenyl-4H-imidazole-5-carboxylate
CID 71762100
4-[(4R,5S)-4-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]phenol
CID 155550213
5-benzyl-3-(4-fluorophenyl)-4-(4-methoxyphenyl)-4H-imidazole-5-carboxylic acid
CID 60100942
(3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 139413516
3-[Benzyl(1-phenylethyl)amino]-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 139413517
3-[benzyl-[(1S)-1-phenylethyl]amino]-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 139413518
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

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid?
The IUPAC name of 3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid (CID 10453609) is 3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid.
What is the SMILES notation for 3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid?
The canonical SMILES for 3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid is COc1ccc(C2N(Cc3ccccc3)C(c3ccccc3)=NC2(C)C(=O)O)cc1.
What is the InChIKey of 3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid?
The InChIKey is CULSRYBSZZFLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-25(24(28)29)22(19-13-15-21(30-2)16-14-19)27(17-18-9-5-3-6-10-18)23(26-25)20-11-7-4-8-12-20/h3-16,22H,17H2,1-2H3,(H,28,29).
What are the key properties of 3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid?
3-benzyl-4-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid has a molecular weight of 400.48 g/mol, XLogP of 4.54, 6 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)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid is sourced from PubChem (CID 10453609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).