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

C19H18N2O2 — CID 45277295

IUPAC1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(C(=O)CCc2ccccc2)c2ccccc21
InChIInChI=1S/C19H18N2O2/c1-14(2)20-16-10-6-7-11-17(16)21(19(20)23)18(22)13-12-15-8-4-3-5-9-15/h3-11H,1,12-13H2,2H3
InChIKeyXNNZGJKQABGSKN-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.57
Rot. Bonds4

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

1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 45277295) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID45277295
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(C(=O)CCc2ccccc2)c2ccccc21
InChIInChI=1S/C19H18N2O2/c1-14(2)20-16-10-6-7-11-17(16)21(19(20)23)18(22)13-12-15-8-4-3-5-9-15/h3-11H,1,12-13H2,2H3
InChIKeyXNNZGJKQABGSKN-UHFFFAOYSA-N
XLogP3.57
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one (CID 45277295) is 1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)n1c(=O)n(C(=O)CCc2ccccc2)c2ccccc21.
What is the InChIKey of 1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is XNNZGJKQABGSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14(2)20-16-10-6-7-11-17(16)21(19(20)23)18(22)13-12-15-8-4-3-5-9-15/h3-11H,1,12-13H2,2H3.
What are the key properties of 1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one?
1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 45277295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).