2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol

C22H28N2O2 — CID 19242403

IUPAC2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
SMILESCC(C)(C)c1ccc(OCCCn2c(CCO)nc3ccccc32)cc1
InChIInChI=1S/C22H28N2O2/c1-22(2,3)17-9-11-18(12-10-17)26-16-6-14-24-20-8-5-4-7-19(20)23-21(24)13-15-25/h4-5,7-12,25H,6,13-16H2,1-3H3
InChIKeyOSFUDWACJRLPNL-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.34
Rot. Bonds7

About 2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol

2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol (PubChem CID 19242403) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
PubChem CID19242403
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
SMILESCC(C)(C)c1ccc(OCCCn2c(CCO)nc3ccccc32)cc1
InChIInChI=1S/C22H28N2O2/c1-22(2,3)17-9-11-18(12-10-17)26-16-6-14-24-20-8-5-4-7-19(20)23-21(24)13-15-25/h4-5,7-12,25H,6,13-16H2,1-3H3
InChIKeyOSFUDWACJRLPNL-UHFFFAOYSA-N
XLogP4.34
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975801
2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242419
N-[2-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974216
2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879409
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976602
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 16977216
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978316
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17006002
1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 16995372
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969578
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972479

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol (CID 19242403) is 2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol is CC(C)(C)c1ccc(OCCCn2c(CCO)nc3ccccc32)cc1.
What is the InChIKey of 2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol?
The InChIKey is OSFUDWACJRLPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-22(2,3)17-9-11-18(12-10-17)26-16-6-14-24-20-8-5-4-7-19(20)23-21(24)13-15-25/h4-5,7-12,25H,6,13-16H2,1-3H3.
What are the key properties of 2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol?
2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol has a molecular weight of 352.48 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 19242403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).