2-(diethoxymethyl)-1H-benzimidazole

C12H16N2O2 — CID 4913035

IUPAC2-(diethoxymethyl)-1H-benzimidazole
SMILESCCOC(OCC)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N2O2/c1-3-15-12(16-4-2)11-13-9-7-5-6-8-10(9)14-11/h5-8,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyHJQKHEYWEHJTGQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.63
Rot. Bonds5

About 2-(diethoxymethyl)-1H-benzimidazole

2-(diethoxymethyl)-1H-benzimidazole (PubChem CID 4913035) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(diethoxymethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(diethoxymethyl)-1H-benzimidazole
PubChem CID4913035
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(diethoxymethyl)-1H-benzimidazole
SMILESCCOC(OCC)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N2O2/c1-3-15-12(16-4-2)11-13-9-7-5-6-8-10(9)14-11/h5-8,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyHJQKHEYWEHJTGQ-UHFFFAOYSA-N
XLogP2.63
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-1H-benzimidazole?
The IUPAC name of 2-(diethoxymethyl)-1H-benzimidazole (CID 4913035) is 2-(diethoxymethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(diethoxymethyl)-1H-benzimidazole?
The canonical SMILES for 2-(diethoxymethyl)-1H-benzimidazole is CCOC(OCC)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(diethoxymethyl)-1H-benzimidazole?
The InChIKey is HJQKHEYWEHJTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-15-12(16-4-2)11-13-9-7-5-6-8-10(9)14-11/h5-8,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-(diethoxymethyl)-1H-benzimidazole?
2-(diethoxymethyl)-1H-benzimidazole has a molecular weight of 220.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-1H-benzimidazole is sourced from PubChem (CID 4913035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).