2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole

C15H19ClN2O — CID 43667620

IUPAC2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole
SMILESCC(C1CCCO1)n1c(CCCl)nc2ccccc21
InChIInChI=1S/C15H19ClN2O/c1-11(14-7-4-10-19-14)18-13-6-3-2-5-12(13)17-15(18)8-9-16/h2-3,5-6,11,14H,4,7-10H2,1H3
InChIKeyQYQZSTQVQOZAAX-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.56
Rot. Bonds4

About 2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole

2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole (PubChem CID 43667620) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole
PubChem CID43667620
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole
SMILESCC(C1CCCO1)n1c(CCCl)nc2ccccc21
InChIInChI=1S/C15H19ClN2O/c1-11(14-7-4-10-19-14)18-13-6-3-2-5-12(13)17-15(18)8-9-16/h2-3,5-6,11,14H,4,7-10H2,1H3
InChIKeyQYQZSTQVQOZAAX-UHFFFAOYSA-N
XLogP3.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-3-[1-(oxolan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104715445
2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 55067885
2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one
CID 61065284
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole
CID 43666180
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole
CID 43533654
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 63838567
2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole
CID 55222184
2-(2-chloroethyl)-1-(oxan-4-ylmethyl)benzimidazole
CID 63713165
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 43667584
2-(2-chloroethyl)-1-(4-methylsulfanylbutan-2-yl)benzimidazole
CID 113477871

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole (CID 43667620) is 2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole is CC(C1CCCO1)n1c(CCCl)nc2ccccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole?
The InChIKey is QYQZSTQVQOZAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-11(14-7-4-10-19-14)18-13-6-3-2-5-12(13)17-15(18)8-9-16/h2-3,5-6,11,14H,4,7-10H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole?
2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole has a molecular weight of 278.78 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 43667620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).