5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one

C13H18N2O3 — CID 59426538

IUPAC5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one
SMILESCCc1ccc2c(c1)n(COC)c(=O)n2COC
InChIInChI=1S/C13H18N2O3/c1-4-10-5-6-11-12(7-10)15(9-18-3)13(16)14(11)8-17-2/h5-7H,4,8-9H2,1-3H3
InChIKeyYZTXNFFYWDEXOZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.57
Rot. Bonds5

About 5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one

5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one (PubChem CID 59426538) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one.

Molecular Properties

Compound Name5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one
PubChem CID59426538
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one
SMILESCCc1ccc2c(c1)n(COC)c(=O)n2COC
InChIInChI=1S/C13H18N2O3/c1-4-10-5-6-11-12(7-10)15(9-18-3)13(16)14(11)8-17-2/h5-7H,4,8-9H2,1-3H3
InChIKeyYZTXNFFYWDEXOZ-UHFFFAOYSA-N
XLogP1.57
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one?
The IUPAC name of 5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one (CID 59426538) is 5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one.
What is the SMILES notation for 5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one?
The canonical SMILES for 5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one is CCc1ccc2c(c1)n(COC)c(=O)n2COC.
What is the InChIKey of 5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one?
The InChIKey is YZTXNFFYWDEXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-10-5-6-11-12(7-10)15(9-18-3)13(16)14(11)8-17-2/h5-7H,4,8-9H2,1-3H3.
What are the key properties of 5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one?
5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one is sourced from PubChem (CID 59426538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).