5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid

C24H28N2O3 — CID 67910346

IUPAC5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid
SMILESCCC(C)c1cn(C(C)C)c(=O)n1Cc1ccc(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C24H28N2O3/c1-5-17(4)22-15-25(16(2)3)24(29)26(22)14-18-11-12-20(21(13-18)23(27)28)19-9-7-6-8-10-19/h6-13,15-17H,5,14H2,1-4H3,(H,27,28)
InChIKeyNYOIBCIIGFPGSX-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.16
Rot. Bonds7

About 5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid

5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid (PubChem CID 67910346) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid.

Molecular Properties

Compound Name5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid
PubChem CID67910346
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid
SMILESCCC(C)c1cn(C(C)C)c(=O)n1Cc1ccc(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C24H28N2O3/c1-5-17(4)22-15-25(16(2)3)24(29)26(22)14-18-11-12-20(21(13-18)23(27)28)19-9-7-6-8-10-19/h6-13,15-17H,5,14H2,1-4H3,(H,27,28)
InChIKeyNYOIBCIIGFPGSX-UHFFFAOYSA-N
XLogP5.16
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[(5-butan-2-yl-2-oxo-3-phenylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19741568
2-[4-[(3-benzoyl-5-butan-2-yl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19740799
2-[4-[(5-butan-2-yl-3-tert-butyl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19740110
2-[4-[(3-butan-2-yl-5-tert-butyl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19740989
2-[4-[(3-butan-2-yl-5-butyl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19740399
2-[4-[[3-butan-2-yl-5-[(E)-but-1-enyl]-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid
CID 19740368
5-butyl-1-[(3-carboxy-4-phenylphenyl)methyl]-2-oxo-3-propylimidazole-4-carboxylic acid
CID 67910414
2-[4-[(3-butan-2-yl-5-oxo-1-propyl-1,2,4-triazol-4-yl)methyl]phenyl]benzoic acid
CID 90751502
5-[[5-butyl-4-(dimethoxymethyl)-2-oxo-3-(2-phenylacetyl)imidazol-1-yl]methyl]-2-phenylbenzoic acid
CID 67910453
2-[4-[[3-butan-2-yl-1-(3-methylbutyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]benzoic acid
CID 90974827
3-[(3-carboxy-4-phenylphenyl)methyl]-2-ethyl-5-(2-hydroxypropan-2-yl)imidazole-4-carboxylic acid
CID 19036285
5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid
CID 67941649

Frequently Asked Questions

What is the IUPAC name of 5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid?
The IUPAC name of 5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid (CID 67910346) is 5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid.
What is the SMILES notation for 5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid?
The canonical SMILES for 5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid is CCC(C)c1cn(C(C)C)c(=O)n1Cc1ccc(-c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid?
The InChIKey is NYOIBCIIGFPGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-5-17(4)22-15-25(16(2)3)24(29)26(22)14-18-11-12-20(21(13-18)23(27)28)19-9-7-6-8-10-19/h6-13,15-17H,5,14H2,1-4H3,(H,27,28).
What are the key properties of 5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid?
5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid has a molecular weight of 392.50 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-butan-2-yl-2-oxo-3-propan-2-ylimidazol-1-yl)methyl]-2-phenylbenzoic acid is sourced from PubChem (CID 67910346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).