1-(1-benzofuran-5-yl)butylurea

C13H16N2O2 — CID 19934315

IUPAC1-(1-benzofuran-5-yl)butylurea
SMILESCCCC(NC(N)=O)c1ccc2occc2c1
InChIInChI=1S/C13H16N2O2/c1-2-3-11(15-13(14)16)9-4-5-12-10(8-9)6-7-17-12/h4-8,11H,2-3H2,1H3,(H3,14,15,16)
InChIKeyRLFTYHHVHRRVCD-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.94
Rot. Bonds4

About 1-(1-benzofuran-5-yl)butylurea

1-(1-benzofuran-5-yl)butylurea (PubChem CID 19934315) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)butylurea.

Molecular Properties

Compound Name1-(1-benzofuran-5-yl)butylurea
PubChem CID19934315
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(1-benzofuran-5-yl)butylurea
SMILESCCCC(NC(N)=O)c1ccc2occc2c1
InChIInChI=1S/C13H16N2O2/c1-2-3-11(15-13(14)16)9-4-5-12-10(8-9)6-7-17-12/h4-8,11H,2-3H2,1H3,(H3,14,15,16)
InChIKeyRLFTYHHVHRRVCD-UHFFFAOYSA-N
XLogP2.94
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)butylurea?
The IUPAC name of 1-(1-benzofuran-5-yl)butylurea (CID 19934315) is 1-(1-benzofuran-5-yl)butylurea.
What is the SMILES notation for 1-(1-benzofuran-5-yl)butylurea?
The canonical SMILES for 1-(1-benzofuran-5-yl)butylurea is CCCC(NC(N)=O)c1ccc2occc2c1.
What is the InChIKey of 1-(1-benzofuran-5-yl)butylurea?
The InChIKey is RLFTYHHVHRRVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-3-11(15-13(14)16)9-4-5-12-10(8-9)6-7-17-12/h4-8,11H,2-3H2,1H3,(H3,14,15,16).
What are the key properties of 1-(1-benzofuran-5-yl)butylurea?
1-(1-benzofuran-5-yl)butylurea has a molecular weight of 232.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-yl)butylurea is sourced from PubChem (CID 19934315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).