1-[2-(4-chlorophenoxy)ethyl]benzimidazole

C15H13ClN2O — CID 803004

IUPAC1-[2-(4-chlorophenoxy)ethyl]benzimidazole
SMILESClc1ccc(OCCn2cnc3ccccc32)cc1
InChIInChI=1S/C15H13ClN2O/c16-12-5-7-13(8-6-12)19-10-9-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,9-10H2
InChIKeyWYJHITBILJDWSS-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.77
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]benzimidazole

1-[2-(4-chlorophenoxy)ethyl]benzimidazole (PubChem CID 803004) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]benzimidazole
PubChem CID803004
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]benzimidazole
SMILESClc1ccc(OCCn2cnc3ccccc32)cc1
InChIInChI=1S/C15H13ClN2O/c16-12-5-7-13(8-6-12)19-10-9-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,9-10H2
InChIKeyWYJHITBILJDWSS-UHFFFAOYSA-N
XLogP3.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol
CID 800546
1-[3-(4-chlorophenyl)sulfanylpropyl]benzimidazole
CID 2966362
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole
CID 934444
1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16994975
1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole
CID 71494815
1-[2-(4-bromo-2-chlorophenoxy)ethyl]benzimidazole
CID 1262324
1-[(E)-pent-3-enyl]benzimidazole
CID 135077117
1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446862
1-[2-(3-bromophenoxy)ethyl]benzimidazole;oxalic acid
CID 2966083
1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole
CID 611619

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]benzimidazole?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]benzimidazole (CID 803004) is 1-[2-(4-chlorophenoxy)ethyl]benzimidazole.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]benzimidazole?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]benzimidazole is Clc1ccc(OCCn2cnc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]benzimidazole?
The InChIKey is WYJHITBILJDWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-12-5-7-13(8-6-12)19-10-9-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,9-10H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]benzimidazole?
1-[2-(4-chlorophenoxy)ethyl]benzimidazole has a molecular weight of 272.74 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]benzimidazole is sourced from PubChem (CID 803004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).