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

C22H28N2O2 — CID 16995372

IUPAC1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-16(25)21-23-19-8-5-6-9-20(19)24(21)14-7-15-26-18-12-10-17(11-13-18)22(2,3)4/h5-6,8-13,16,25H,7,14-15H2,1-4H3
InChIKeyRWQGARLUGWABLW-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.86
Rot. Bonds6

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

1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol (PubChem CID 16995372) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
PubChem CID16995372
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-16(25)21-23-19-8-5-6-9-20(19)24(21)14-7-15-26-18-12-10-17(11-13-18)22(2,3)4/h5-6,8-13,16,25H,7,14-15H2,1-4H3
InChIKeyRWQGARLUGWABLW-UHFFFAOYSA-N
XLogP4.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.86
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

(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
2-benzhydryl-1-[3-(4-tert-butylphenoxy)propyl]benzimidazole
CID 16987281
1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol
CID 18879025
(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 6998441
(1S)-1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962321
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009740
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970226
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 19242403
(Z)-N-[1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970360
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969371

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol (CID 16995372) is 1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol is CC(O)c1nc2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol?
The InChIKey is RWQGARLUGWABLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(25)21-23-19-8-5-6-9-20(19)24(21)14-7-15-26-18-12-10-17(11-13-18)22(2,3)4/h5-6,8-13,16,25H,7,14-15H2,1-4H3.
What are the key properties of 1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol?
1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol has a molecular weight of 352.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 16995372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).