1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol

C18H26N4O2Si — CID 152504573

IUPAC1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol
SMILESCC(O)c1cc2c(cc1-n1cccn1)ncn2COCC[Si](C)(C)C
InChIInChI=1S/C18H26N4O2Si/c1-14(23)15-10-18-16(11-17(15)22-7-5-6-20-22)19-12-21(18)13-24-8-9-25(2,3)4/h5-7,10-12,14,23H,8-9,13H2,1-4H3
InChIKeyYEEKATPMFLNDEO-UHFFFAOYSA-N
MW358.52 g/mol
LogP3.59
Rot. Bonds7

About 1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol

1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol (PubChem CID 152504573) has the molecular formula C18H26N4O2Si and a molecular weight of 358.52 g/mol. Its IUPAC name is 1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol
PubChem CID152504573
Molecular FormulaC18H26N4O2Si
Molecular Weight358.52 g/mol
Exact Mass358.18
IUPAC Name1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol
SMILESCC(O)c1cc2c(cc1-n1cccn1)ncn2COCC[Si](C)(C)C
InChIInChI=1S/C18H26N4O2Si/c1-14(23)15-10-18-16(11-17(15)22-7-5-6-20-22)19-12-21(18)13-24-8-9-25(2,3)4/h5-7,10-12,14,23H,8-9,13H2,1-4H3
InChIKeyYEEKATPMFLNDEO-UHFFFAOYSA-N
XLogP3.59
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
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 1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol 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 1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol?
The IUPAC name of 1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol (CID 152504573) is 1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol.
What is the SMILES notation for 1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol?
The canonical SMILES for 1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol is CC(O)c1cc2c(cc1-n1cccn1)ncn2COCC[Si](C)(C)C.
What is the InChIKey of 1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol?
The InChIKey is YEEKATPMFLNDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2Si/c1-14(23)15-10-18-16(11-17(15)22-7-5-6-20-22)19-12-21(18)13-24-8-9-25(2,3)4/h5-7,10-12,14,23H,8-9,13H2,1-4H3.
What are the key properties of 1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol?
1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol has a molecular weight of 358.52 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-pyrazol-1-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethanol is sourced from PubChem (CID 152504573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).