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

C15H22N2O — CID 116621288

IUPAC1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one
SMILESCCC(CC)Cn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-4-12(5-2)11-17-14-10-8-7-9-13(14)16(6-3)15(17)18/h7-10,12H,4-6,11H2,1-3H3
InChIKeyHJVITBJUURCYGY-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.26
Rot. Bonds5

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

1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one (PubChem CID 116621288) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one
PubChem CID116621288
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one
SMILESCCC(CC)Cn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-4-12(5-2)11-17-14-10-8-7-9-13(14)16(6-3)15(17)18/h7-10,12H,4-6,11H2,1-3H3
InChIKeyHJVITBJUURCYGY-UHFFFAOYSA-N
XLogP3.26
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminobutyl)-3-ethylbenzimidazol-2-one
CID 82168070
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234
2-(3-ethyl-2-oxobenzimidazol-1-yl)acetaldehyde
CID 58710654
1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one
CID 53276332
1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one
CID 79395758
1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one
CID 115663107
2-[3-[(2R)-2-hydroxybutyl]-2-oxobenzimidazol-1-yl]acetic acid
CID 95735437
2-ethyl-4-(3-ethyl-2-oxobenzimidazol-1-yl)but-2-enoic acid
CID 77102171
1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one
CID 52566005
1-ethyl-3-(2-phenylsulfanylethyl)benzimidazol-2-one
CID 116621256
1-(2-ethylbutyl)-2-methylindole
CID 82925203

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one (CID 116621288) is 1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one is CCC(CC)Cn1c(=O)n(CC)c2ccccc21.
What is the InChIKey of 1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one?
The InChIKey is HJVITBJUURCYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-12(5-2)11-17-14-10-8-7-9-13(14)16(6-3)15(17)18/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of 1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one?
1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one is sourced from PubChem (CID 116621288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).