1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea

C20H18N2O4 — CID 88512065

IUPAC1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea
SMILESCCC(c1coc2ccccc12)(c1coc2ccccc12)N(O)C(N)=O
InChIInChI=1S/C20H18N2O4/c1-2-20(22(24)19(21)23,15-11-25-17-9-5-3-7-13(15)17)16-12-26-18-10-6-4-8-14(16)18/h3-12,24H,2H2,1H3,(H2,21,23)
InChIKeyDJXBGMPBJPBFBP-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.60
Rot. Bonds4

About 1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea

1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea (PubChem CID 88512065) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea
PubChem CID88512065
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea
SMILESCCC(c1coc2ccccc12)(c1coc2ccccc12)N(O)C(N)=O
InChIInChI=1S/C20H18N2O4/c1-2-20(22(24)19(21)23,15-11-25-17-9-5-3-7-13(15)17)16-12-26-18-10-6-4-8-14(16)18/h3-12,24H,2H2,1H3,(H2,21,23)
InChIKeyDJXBGMPBJPBFBP-UHFFFAOYSA-N
XLogP4.60
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea?
The IUPAC name of 1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea (CID 88512065) is 1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea?
The canonical SMILES for 1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea is CCC(c1coc2ccccc12)(c1coc2ccccc12)N(O)C(N)=O.
What is the InChIKey of 1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea?
The InChIKey is DJXBGMPBJPBFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-20(22(24)19(21)23,15-11-25-17-9-5-3-7-13(15)17)16-12-26-18-10-6-4-8-14(16)18/h3-12,24H,2H2,1H3,(H2,21,23).
What are the key properties of 1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea?
1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea has a molecular weight of 350.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea is sourced from PubChem (CID 88512065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).