1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one

C14H16N2O2 — CID 45276977

IUPAC1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(C(=O)CCC)c2ccccc21
InChIInChI=1S/C14H16N2O2/c1-4-7-13(17)16-12-9-6-5-8-11(12)15(10(2)3)14(16)18/h5-6,8-9H,2,4,7H2,1,3H3
InChIKeyGVTLUNFCVWZJDG-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.73
Rot. Bonds3

About 1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one

1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 45276977) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID45276977
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(C(=O)CCC)c2ccccc21
InChIInChI=1S/C14H16N2O2/c1-4-7-13(17)16-12-9-6-5-8-11(12)15(10(2)3)14(16)18/h5-6,8-9H,2,4,7H2,1,3H3
InChIKeyGVTLUNFCVWZJDG-UHFFFAOYSA-N
XLogP2.73
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one (CID 45276977) is 1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)n1c(=O)n(C(=O)CCC)c2ccccc21.
What is the InChIKey of 1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is GVTLUNFCVWZJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-7-13(17)16-12-9-6-5-8-11(12)15(10(2)3)14(16)18/h5-6,8-9H,2,4,7H2,1,3H3.
What are the key properties of 1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one?
1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 244.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 45276977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).