3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid

C22H24N2O4 — CID 10429853

IUPAC3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
SMILESCCOC(=O)CCN1C(c2ccccc2)=NC(C)(C(=O)O)C1c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-3-28-18(25)14-15-24-19(16-10-6-4-7-11-16)22(2,21(26)27)23-20(24)17-12-8-5-9-13-17/h4-13,19H,3,14-15H2,1-2H3,(H,26,27)
InChIKeyPENNWSUJCPGJKB-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.29
Rot. Bonds7

About 3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid

3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid (PubChem CID 10429853) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
PubChem CID10429853
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
SMILESCCOC(=O)CCN1C(c2ccccc2)=NC(C)(C(=O)O)C1c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-3-28-18(25)14-15-24-19(16-10-6-4-7-11-16)22(2,21(26)27)23-20(24)17-12-8-5-9-13-17/h4-13,19H,3,14-15H2,1-2H3,(H,26,27)
InChIKeyPENNWSUJCPGJKB-UHFFFAOYSA-N
XLogP3.29
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate
CID 10069519
(4R,5S)-4-ethoxycarbonyl-3-(4-fluorophenyl)-5-methyl-2-phenyl-4H-imidazole-5-carboxylic acid
CID 70823842
(3,4-dichlorophenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
CID 25262151
ethyl 3-[(2R,3R,6S)-2-[(1R)-1-azidopropyl]-4-oxo-6-phenyl-1-oxa-5-azaspiro[2.3]hexan-5-yl]propanoate
CID 11995104
ethyl 3-(benzotriazol-2-yl)propanoate
CID 3783568
ethyl 3-[(3R,4R)-3-[(2S,3R)-3-ethyloxiran-2-yl]-3-[(S)-hydroxy(phenyl)methyl]-2-oxo-4-phenylazetidin-1-yl]propanoate
CID 102320155
ethyl (4R,5R)-3-benzyl-4-(4-methylsulfanylphenyl)-2,5-diphenyl-4H-imidazole-5-carboxylate
CID 71761864
ethyl (4R,5R)-4-(4-aminophenyl)-3-benzyl-2,5-diphenyl-4H-imidazole-5-carboxylate
CID 44591588
ethyl (2S,3R)-1-methyl-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 6997580
(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxamide
CID 25231641
ethyl 3-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)propanoate
CID 142874027
ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
CID 155778333

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid?
The IUPAC name of 3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid (CID 10429853) is 3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid?
The canonical SMILES for 3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid is CCOC(=O)CCN1C(c2ccccc2)=NC(C)(C(=O)O)C1c1ccccc1.
What is the InChIKey of 3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid?
The InChIKey is PENNWSUJCPGJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-28-18(25)14-15-24-19(16-10-6-4-7-11-16)22(2,21(26)27)23-20(24)17-12-8-5-9-13-17/h4-13,19H,3,14-15H2,1-2H3,(H,26,27).
What are the key properties of 3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid?
3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid is sourced from PubChem (CID 10429853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).