2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid

C24H28N2O3 — CID 67916797

IUPAC2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCn1cc(C(C)CC)n(Cc2ccccc2-c2ccccc2C(=O)O)c1=O
InChIInChI=1S/C24H28N2O3/c1-4-14-25-16-22(17(3)5-2)26(24(25)29)15-18-10-6-7-11-19(18)20-12-8-9-13-21(20)23(27)28/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,27,28)
InChIKeyBVRAJLHSWHCLIZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.99
Rot. Bonds8

About 2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid

2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid (PubChem CID 67916797) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid
PubChem CID67916797
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCn1cc(C(C)CC)n(Cc2ccccc2-c2ccccc2C(=O)O)c1=O
InChIInChI=1S/C24H28N2O3/c1-4-14-25-16-22(17(3)5-2)26(24(25)29)15-18-10-6-7-11-19(18)20-12-8-9-13-21(20)23(27)28/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,27,28)
InChIKeyBVRAJLHSWHCLIZ-UHFFFAOYSA-N
XLogP4.99
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid (CID 67916797) is 2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid is CCCn1cc(C(C)CC)n(Cc2ccccc2-c2ccccc2C(=O)O)c1=O.
What is the InChIKey of 2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid?
The InChIKey is BVRAJLHSWHCLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-14-25-16-22(17(3)5-2)26(24(25)29)15-18-10-6-7-11-19(18)20-12-8-9-13-21(20)23(27)28/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,27,28).
What are the key properties of 2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid?
2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid has a molecular weight of 392.50 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-butan-2-yl-2-oxo-3-propylimidazol-1-yl)methyl]phenyl]benzoic acid is sourced from PubChem (CID 67916797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).