1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one

C16H20N2O2 — CID 45277133

IUPAC1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(C(=O)C(CC)CC)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-5-12(6-2)15(19)18-14-10-8-7-9-13(14)17(11(3)4)16(18)20/h7-10,12H,3,5-6H2,1-2,4H3
InChIKeyBLEINNYPESKTRW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.37
Rot. Bonds4

About 1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one

1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 45277133) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID45277133
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(C(=O)C(CC)CC)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-5-12(6-2)15(19)18-14-10-8-7-9-13(14)17(11(3)4)16(18)20/h7-10,12H,3,5-6H2,1-2,4H3
InChIKeyBLEINNYPESKTRW-UHFFFAOYSA-N
XLogP3.37
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one (CID 45277133) is 1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)n1c(=O)n(C(=O)C(CC)CC)c2ccccc21.
What is the InChIKey of 1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is BLEINNYPESKTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-12(6-2)15(19)18-14-10-8-7-9-13(14)17(11(3)4)16(18)20/h7-10,12H,3,5-6H2,1-2,4H3.
What are the key properties of 1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one?
1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 272.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 45277133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).