2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid

C24H28N4O4Si — CID 67338630

IUPAC2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid
SMILESC[Si](C)(C)CCOCn1c(OCC(=O)O)nc2cc(-c3ccc(-c4ccn[nH]4)cc3)ccc21
InChIInChI=1S/C24H28N4O4Si/c1-33(2,3)13-12-31-16-28-22-9-8-19(14-21(22)26-24(28)32-15-23(29)30)17-4-6-18(7-5-17)20-10-11-25-27-20/h4-11,14H,12-13,15-16H2,1-3H3,(H,25,27)(H,29,30)
InChIKeyNGMBWMQSLBIKRL-UHFFFAOYSA-N
MW464.60 g/mol
LogP4.87
Rot. Bonds10

About 2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid

2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid (PubChem CID 67338630) has the molecular formula C24H28N4O4Si and a molecular weight of 464.60 g/mol. Its IUPAC name is 2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid
PubChem CID67338630
Molecular FormulaC24H28N4O4Si
Molecular Weight464.60 g/mol
Exact Mass464.19
IUPAC Name2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid
SMILESC[Si](C)(C)CCOCn1c(OCC(=O)O)nc2cc(-c3ccc(-c4ccn[nH]4)cc3)ccc21
InChIInChI=1S/C24H28N4O4Si/c1-33(2,3)13-12-31-16-28-22-9-8-19(14-21(22)26-24(28)32-15-23(29)30)17-4-6-18(7-5-17)20-10-11-25-27-20/h4-11,14H,12-13,15-16H2,1-3H3,(H,25,27)(H,29,30)
InChIKeyNGMBWMQSLBIKRL-UHFFFAOYSA-N
XLogP4.87
TPSA102.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic 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

2-[4-(1H-pyrazol-5-yl)phenoxy]acetic acid
CID 102534246
1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone
CID 22477945
1-[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxycyclobutane-1-carboxylic acid
CID 67397282
N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline
CID 154287838
1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one
CID 22477777
trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
CID 162712956
trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane
CID 59539148
hydroxy-dimethyl-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]silane
CID 24807131
7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 58577646
N-[4-[5-methoxy-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 162687673
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
(3R,3aR,6R,6aR)-6-[6-chloro-5-iodo-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 90042236

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid?
The IUPAC name of 2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid (CID 67338630) is 2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid?
The canonical SMILES for 2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid is C[Si](C)(C)CCOCn1c(OCC(=O)O)nc2cc(-c3ccc(-c4ccn[nH]4)cc3)ccc21.
What is the InChIKey of 2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid?
The InChIKey is NGMBWMQSLBIKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4Si/c1-33(2,3)13-12-31-16-28-22-9-8-19(14-21(22)26-24(28)32-15-23(29)30)17-4-6-18(7-5-17)20-10-11-25-27-20/h4-11,14H,12-13,15-16H2,1-3H3,(H,25,27)(H,29,30).
What are the key properties of 2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid?
2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid has a molecular weight of 464.60 g/mol, XLogP of 4.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid is sourced from PubChem (CID 67338630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).