1-ethyl-3-(methoxymethyl)benzimidazol-2-one

C11H14N2O2 — CID 116621234

IUPAC1-ethyl-3-(methoxymethyl)benzimidazol-2-one
SMILESCCn1c(=O)n(COC)c2ccccc21
InChIInChI=1S/C11H14N2O2/c1-3-12-9-6-4-5-7-10(9)13(8-15-2)11(12)14/h4-7H,3,8H2,1-2H3
InChIKeyPCMLOSQLVGZFBU-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.43
Rot. Bonds3

About 1-ethyl-3-(methoxymethyl)benzimidazol-2-one

1-ethyl-3-(methoxymethyl)benzimidazol-2-one (PubChem CID 116621234) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-ethyl-3-(methoxymethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(methoxymethyl)benzimidazol-2-one
PubChem CID116621234
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-ethyl-3-(methoxymethyl)benzimidazol-2-one
SMILESCCn1c(=O)n(COC)c2ccccc21
InChIInChI=1S/C11H14N2O2/c1-3-12-9-6-4-5-7-10(9)13(8-15-2)11(12)14/h4-7H,3,8H2,1-2H3
InChIKeyPCMLOSQLVGZFBU-UHFFFAOYSA-N
XLogP1.43
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1,3-bis(methoxymethyl)benzimidazol-2-one
CID 59426538
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
2-(3-ethyl-2-oxobenzimidazol-1-yl)acetaldehyde
CID 58710654
1-(2-aminobutyl)-3-ethylbenzimidazol-2-one
CID 82168070
1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one
CID 116621288
1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one
CID 115663107
1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one
CID 115576479
1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one
CID 79395758
1-ethyl-3-(2-phenylsulfanylethyl)benzimidazol-2-one
CID 116621256
1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one
CID 53276332
1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one
CID 115576185
2-ethyl-4-(3-ethyl-2-oxobenzimidazol-1-yl)but-2-enoic acid
CID 77102171

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methoxymethyl)benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-(methoxymethyl)benzimidazol-2-one (CID 116621234) is 1-ethyl-3-(methoxymethyl)benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(methoxymethyl)benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-(methoxymethyl)benzimidazol-2-one is CCn1c(=O)n(COC)c2ccccc21.
What is the InChIKey of 1-ethyl-3-(methoxymethyl)benzimidazol-2-one?
The InChIKey is PCMLOSQLVGZFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-12-9-6-4-5-7-10(9)13(8-15-2)11(12)14/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-3-(methoxymethyl)benzimidazol-2-one?
1-ethyl-3-(methoxymethyl)benzimidazol-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methoxymethyl)benzimidazol-2-one is sourced from PubChem (CID 116621234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).