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

C16H16N2O2 — CID 126962311

IUPAC1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one
SMILESCCn1c(=O)n(-c2ccccc2OC)c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-3-17-12-8-4-5-9-13(12)18(16(17)19)14-10-6-7-11-15(14)20-2/h4-11H,3H2,1-2H3
InChIKeyAPFVJUGHOJXBRO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.82
Rot. Bonds3

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

1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one (PubChem CID 126962311) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one
PubChem CID126962311
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one
SMILESCCn1c(=O)n(-c2ccccc2OC)c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-3-17-12-8-4-5-9-13(12)18(16(17)19)14-10-6-7-11-15(14)20-2/h4-11H,3H2,1-2H3
InChIKeyAPFVJUGHOJXBRO-UHFFFAOYSA-N
XLogP2.82
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one (CID 126962311) is 1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one is CCn1c(=O)n(-c2ccccc2OC)c2ccccc21.
What is the InChIKey of 1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one?
The InChIKey is APFVJUGHOJXBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-17-12-8-4-5-9-13(12)18(16(17)19)14-10-6-7-11-15(14)20-2/h4-11H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one?
1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyphenyl)benzimidazol-2-one is sourced from PubChem (CID 126962311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).