1-(2-ethoxyethyl)-2-ethylbenzimidazole

C13H18N2O — CID 3155314

IUPAC1-(2-ethoxyethyl)-2-ethylbenzimidazole
SMILESCCOCCn1c(CC)nc2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-13-14-11-7-5-6-8-12(11)15(13)9-10-16-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyVOKKQIYRYQKOQX-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.64
Rot. Bonds5

About 1-(2-ethoxyethyl)-2-ethylbenzimidazole

1-(2-ethoxyethyl)-2-ethylbenzimidazole (PubChem CID 3155314) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-ethylbenzimidazole
PubChem CID3155314
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2-ethoxyethyl)-2-ethylbenzimidazole
SMILESCCOCCn1c(CC)nc2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-13-14-11-7-5-6-8-12(11)15(13)9-10-16-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyVOKKQIYRYQKOQX-UHFFFAOYSA-N
XLogP2.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(2-ethoxyethyl)-2-ethylbenzimidazole?
The IUPAC name of 1-(2-ethoxyethyl)-2-ethylbenzimidazole (CID 3155314) is 1-(2-ethoxyethyl)-2-ethylbenzimidazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-ethylbenzimidazole?
The canonical SMILES for 1-(2-ethoxyethyl)-2-ethylbenzimidazole is CCOCCn1c(CC)nc2ccccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-2-ethylbenzimidazole?
The InChIKey is VOKKQIYRYQKOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-13-14-11-7-5-6-8-12(11)15(13)9-10-16-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-2-ethylbenzimidazole?
1-(2-ethoxyethyl)-2-ethylbenzimidazole has a molecular weight of 218.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-ethylbenzimidazole is sourced from PubChem (CID 3155314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).