[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol

C18H20N2O2 — CID 2945062

IUPAC[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-14-18-19-16-10-4-5-11-17(16)20(18)12-6-7-13-22-15-8-2-1-3-9-15/h1-5,8-11,21H,6-7,12-14H2
InChIKeyCZPAXKWIIHTYSH-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.39
Rot. Bonds7

About [1-(4-phenoxybutyl)benzimidazol-2-yl]methanol

[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol (PubChem CID 2945062) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [1-(4-phenoxybutyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol
PubChem CID2945062
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-14-18-19-16-10-4-5-11-17(16)20(18)12-6-7-13-22-15-8-2-1-3-9-15/h1-5,8-11,21H,6-7,12-14H2
InChIKeyCZPAXKWIIHTYSH-UHFFFAOYSA-N
XLogP3.39
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.39
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-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol
CID 82149283
2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16995754
2-(azepan-1-ylmethyl)-1-(4-phenoxybutyl)benzimidazole
CID 18885402
2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242419
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
2-(naphthalen-1-yloxymethyl)-1-(4-phenoxybutyl)benzimidazole
CID 16999401
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole
CID 122190781
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18879081
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511
2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide
CID 17006257

Frequently Asked Questions

What is the IUPAC name of [1-(4-phenoxybutyl)benzimidazol-2-yl]methanol?
The IUPAC name of [1-(4-phenoxybutyl)benzimidazol-2-yl]methanol (CID 2945062) is [1-(4-phenoxybutyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-(4-phenoxybutyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [1-(4-phenoxybutyl)benzimidazol-2-yl]methanol is OCc1nc2ccccc2n1CCCCOc1ccccc1.
What is the InChIKey of [1-(4-phenoxybutyl)benzimidazol-2-yl]methanol?
The InChIKey is CZPAXKWIIHTYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-14-18-19-16-10-4-5-11-17(16)20(18)12-6-7-13-22-15-8-2-1-3-9-15/h1-5,8-11,21H,6-7,12-14H2.
What are the key properties of [1-(4-phenoxybutyl)benzimidazol-2-yl]methanol?
[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol has a molecular weight of 296.37 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-phenoxybutyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 2945062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).