3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol

C18H19ClN2O2 — CID 2945925

IUPAC3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c19-14-7-9-15(10-8-14)23-13-11-21-17-5-2-1-4-16(17)20-18(21)6-3-12-22/h1-2,4-5,7-10,22H,3,6,11-13H2
InChIKeyYNJZDYAIODHMKD-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.69
Rot. Bonds7

About 3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol

3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 2945925) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
PubChem CID2945925
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c19-14-7-9-15(10-8-14)23-13-11-21-17-5-2-1-4-16(17)20-18(21)6-3-12-22/h1-2,4-5,7-10,22H,3,6,11-13H2
InChIKeyYNJZDYAIODHMKD-UHFFFAOYSA-N
XLogP3.69
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242419
3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 648297
N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982245
2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol
CID 82149283
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3827854
3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 16995480
N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978970
4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984642
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
2-(4-chlorophenoxy)-N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16986442
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992574

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol (CID 2945925) is 3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol is OCCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1.
What is the InChIKey of 3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is YNJZDYAIODHMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-7-9-15(10-8-14)23-13-11-21-17-5-2-1-4-16(17)20-18(21)6-3-12-22/h1-2,4-5,7-10,22H,3,6,11-13H2.
What are the key properties of 3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol has a molecular weight of 330.81 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 2945925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).