1-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one

C16H20N2O2 — CID 45277134

IUPAC1-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(C(=O)CCC(C)C)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-11(2)9-10-15(19)18-14-8-6-5-7-13(14)17(12(3)4)16(18)20/h5-8,11H,3,9-10H2,1-2,4H3
InChIKeyZPUMGMXYLZYQPS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.37
Rot. Bonds4

About 1-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one

1-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 45277134) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID45277134
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(C(=O)CCC(C)C)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-11(2)9-10-15(19)18-14-8-6-5-7-13(14)17(12(3)4)16(18)20/h5-8,11H,3,9-10H2,1-2,4H3
InChIKeyZPUMGMXYLZYQPS-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-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one (CID 45277134) is 1-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)n1c(=O)n(C(=O)CCC(C)C)c2ccccc21.
What is the InChIKey of 1-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is ZPUMGMXYLZYQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)9-10-15(19)18-14-8-6-5-7-13(14)17(12(3)4)16(18)20/h5-8,11H,3,9-10H2,1-2,4H3.
What are the key properties of 1-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one?
1-(4-methylpentanoyl)-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-(4-methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 45277134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).