5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole

C15H19ClN2O2 — CID 46309298

IUPAC5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole
SMILESCCOCCn1c(C2CCCO2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H19ClN2O2/c1-2-19-9-7-18-13-6-5-11(16)10-12(13)17-15(18)14-4-3-8-20-14/h5-6,10,14H,2-4,7-9H2,1H3
InChIKeyXFNMLXJBBARKRE-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.58
Rot. Bonds5

About 5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole

5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole (PubChem CID 46309298) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole
PubChem CID46309298
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole
SMILESCCOCCn1c(C2CCCO2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H19ClN2O2/c1-2-19-9-7-18-13-6-5-11(16)10-12(13)17-15(18)14-4-3-8-20-14/h5-6,10,14H,2-4,7-9H2,1H3
InChIKeyXFNMLXJBBARKRE-UHFFFAOYSA-N
XLogP3.58
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole?
The IUPAC name of 5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole (CID 46309298) is 5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole.
What is the SMILES notation for 5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole?
The canonical SMILES for 5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole is CCOCCn1c(C2CCCO2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole?
The InChIKey is XFNMLXJBBARKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-2-19-9-7-18-13-6-5-11(16)10-12(13)17-15(18)14-4-3-8-20-14/h5-6,10,14H,2-4,7-9H2,1H3.
What are the key properties of 5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole?
5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole has a molecular weight of 294.78 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole is sourced from PubChem (CID 46309298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).