2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol

C19H21ClN2O2 — CID 19242419

IUPAC2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol
SMILESOCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c20-15-7-9-16(10-8-15)24-14-4-3-12-22-18-6-2-1-5-17(18)21-19(22)11-13-23/h1-2,5-10,23H,3-4,11-14H2
InChIKeyABBDWOAAYFAIOU-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.08
Rot. Bonds8

About 2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol

2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol (PubChem CID 19242419) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol
PubChem CID19242419
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol
SMILESOCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c20-15-7-9-16(10-8-15)24-14-4-3-12-22-18-6-2-1-5-17(18)21-19(22)11-13-23/h1-2,5-10,23H,3-4,11-14H2
InChIKeyABBDWOAAYFAIOU-UHFFFAOYSA-N
XLogP4.08
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.08
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

3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2945925
2-(4-chlorophenoxy)-N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978882
2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 19242403
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987932
2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242415
N-[3-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986819
4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984642
[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol
CID 2945062
2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993260
4-chloro-N-[2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977241
1-[4-(4-chlorophenoxy)butyl]-2-[(4-propan-2-ylphenoxy)methyl]benzimidazole
CID 16998683
2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol
CID 17027835

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol (CID 19242419) is 2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol is OCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol?
The InChIKey is ABBDWOAAYFAIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-15-7-9-16(10-8-15)24-14-4-3-12-22-18-6-2-1-5-17(18)21-19(22)11-13-23/h1-2,5-10,23H,3-4,11-14H2.
What are the key properties of 2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol?
2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol has a molecular weight of 344.84 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 19242419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).