4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid

C24H20N2O4 — CID 142221139

IUPAC4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid
SMILESCc1ccc(C(=O)Cn2c(COc3ccc(C(=O)O)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H20N2O4/c1-16-6-8-17(9-7-16)22(27)14-26-21-5-3-2-4-20(21)25-23(26)15-30-19-12-10-18(11-13-19)24(28)29/h2-13H,14-15H2,1H3,(H,28,29)
InChIKeyZCUXMTCAJUXQPB-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.50
Rot. Bonds7

About 4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid

4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid (PubChem CID 142221139) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid
PubChem CID142221139
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid
SMILESCc1ccc(C(=O)Cn2c(COc3ccc(C(=O)O)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H20N2O4/c1-16-6-8-17(9-7-16)22(27)14-26-21-5-3-2-4-20(21)25-23(26)15-30-19-12-10-18(11-13-19)24(28)29/h2-13H,14-15H2,1H3,(H,28,29)
InChIKeyZCUXMTCAJUXQPB-UHFFFAOYSA-N
XLogP4.50
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid with MolForge

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Related Compounds

2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032004
2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone
CID 16997818
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998268
[4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 78881203
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
1-(4-chlorophenyl)-2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997817
4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495
1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 4880410
1-(4-chlorophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997569

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid?
The IUPAC name of 4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid (CID 142221139) is 4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid?
The canonical SMILES for 4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid is Cc1ccc(C(=O)Cn2c(COc3ccc(C(=O)O)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid?
The InChIKey is ZCUXMTCAJUXQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-16-6-8-17(9-7-16)22(27)14-26-21-5-3-2-4-20(21)25-23(26)15-30-19-12-10-18(11-13-19)24(28)29/h2-13H,14-15H2,1H3,(H,28,29).
What are the key properties of 4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid?
4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid has a molecular weight of 400.43 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 142221139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).