3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid

C26H24N4O4 — CID 139619627

IUPAC3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2)c(C2NOC(=O)N2)c1
InChIInChI=1S/C26H24N4O4/c1-2-7-22-27-21-11-6-10-19(25(31)32)23(21)30(22)15-16-12-13-18(17-8-4-3-5-9-17)20(14-16)24-28-26(33)34-29-24/h3-6,8-14,24,29H,2,7,15H2,1H3,(H,28,33)(H,31,32)
InChIKeyYUIBEORZZCSTAE-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.65
Rot. Bonds7

About 3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid

3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid (PubChem CID 139619627) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid
PubChem CID139619627
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2)c(C2NOC(=O)N2)c1
InChIInChI=1S/C26H24N4O4/c1-2-7-22-27-21-11-6-10-19(25(31)32)23(21)30(22)15-16-12-13-18(17-8-4-3-5-9-17)20(14-16)24-28-26(33)34-29-24/h3-6,8-14,24,29H,2,7,15H2,1H3,(H,28,33)(H,31,32)
InChIKeyYUIBEORZZCSTAE-UHFFFAOYSA-N
XLogP4.65
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(cyclopropylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 112577070
3-(4-hydroxybutyl)-2-propylbenzimidazole-4-carboxylic acid
CID 106842855
3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
CID 115932628
2-[4-[[6-(4-methyl-2,5-dioxoimidazolidin-1-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 15017931
methyl 2-ethyl-3-[[3-(nitrosocarbamoyl)-4-phenylphenyl]methyl]benzimidazole-4-carboxylate
CID 139619620
3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid
CID 115932845
propan-2-yl 2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 58209419
2-[4-[(6,7-dihydroxy-5-oxo-2-propylcyclohepta[d]imidazol-1-yl)methyl]phenyl]benzoic acid
CID 19102840
2-[4-[(2-propyl-6-quinolin-2-ylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 54390994
2-[4-[(5,7-dibenzoyl-6-oxo-2-propylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid
CID 19102920
3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid
CID 112577260
2-[4-[[6-hydroxy-7-methyl-5-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 135797359

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid?
The IUPAC name of 3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid (CID 139619627) is 3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid is CCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2)c(C2NOC(=O)N2)c1.
What is the InChIKey of 3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid?
The InChIKey is YUIBEORZZCSTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-2-7-22-27-21-11-6-10-19(25(31)32)23(21)30(22)15-16-12-13-18(17-8-4-3-5-9-17)20(14-16)24-28-26(33)34-29-24/h3-6,8-14,24,29H,2,7,15H2,1H3,(H,28,33)(H,31,32).
What are the key properties of 3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid?
3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid has a molecular weight of 456.50 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 139619627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).