2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol

C19H22N2O — CID 82149276

IUPAC2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
SMILESCC(C)(C)c1ccc(-c2nc3ccccc3n2CCO)cc1
InChIInChI=1S/C19H22N2O/c1-19(2,3)15-10-8-14(9-11-15)18-20-16-6-4-5-7-17(16)21(18)12-13-22/h4-11,22H,12-13H2,1-3H3
InChIKeyNUFRGSMNSRLYNQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.99
Rot. Bonds3

About 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol

2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol (PubChem CID 82149276) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
PubChem CID82149276
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
SMILESCC(C)(C)c1ccc(-c2nc3ccccc3n2CCO)cc1
InChIInChI=1S/C19H22N2O/c1-19(2,3)15-10-8-14(9-11-15)18-20-16-6-4-5-7-17(16)21(18)12-13-22/h4-11,22H,12-13H2,1-3H3
InChIKeyNUFRGSMNSRLYNQ-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-tert-butylphenyl)benzimidazol-1-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 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol (CID 82149276) is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol is CC(C)(C)c1ccc(-c2nc3ccccc3n2CCO)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol?
The InChIKey is NUFRGSMNSRLYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-19(2,3)15-10-8-14(9-11-15)18-20-16-6-4-5-7-17(16)21(18)12-13-22/h4-11,22H,12-13H2,1-3H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol?
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol has a molecular weight of 294.40 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82149276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).