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

C19H16N2O4 — CID 57028878

IUPAC1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea
SMILESCC(c1coc2ccccc12)(c1coc2ccccc12)N(O)C(N)=O
InChIInChI=1S/C19H16N2O4/c1-19(21(23)18(20)22,14-10-24-16-8-4-2-6-12(14)16)15-11-25-17-9-5-3-7-13(15)17/h2-11,23H,1H3,(H2,20,22)
InChIKeyMDYYVTCLPWKEQY-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.21
Rot. Bonds3

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

1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea (PubChem CID 57028878) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea
PubChem CID57028878
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea
SMILESCC(c1coc2ccccc12)(c1coc2ccccc12)N(O)C(N)=O
InChIInChI=1S/C19H16N2O4/c1-19(21(23)18(20)22,14-10-24-16-8-4-2-6-12(14)16)15-11-25-17-9-5-3-7-13(15)17/h2-11,23H,1H3,(H2,20,22)
InChIKeyMDYYVTCLPWKEQY-UHFFFAOYSA-N
XLogP4.21
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.21
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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Related Compounds

1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea
CID 88512065
2-(1-benzofuran-3-yl)-2-methylpropanoic acid
CID 84734012
[2-(1-benzofuran-3-yl)-2-methylpropyl]urea
CID 115168850
2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide
CID 116848268
2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide
CID 115151866
2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
CID 116915418
3-[1-benzofuran-3-yl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164001
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide
CID 116829523
(2S)-2-amino-3-(1-benzofuran-3-yl)-2-methylpropanoic acid
CID 121229043
1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195
2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide
CID 116849007

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea (CID 57028878) is 1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea is CC(c1coc2ccccc12)(c1coc2ccccc12)N(O)C(N)=O.
What is the InChIKey of 1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea?
The InChIKey is MDYYVTCLPWKEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-19(21(23)18(20)22,14-10-24-16-8-4-2-6-12(14)16)15-11-25-17-9-5-3-7-13(15)17/h2-11,23H,1H3,(H2,20,22).
What are the key properties of 1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea?
1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea has a molecular weight of 336.35 g/mol, XLogP of 4.21, 3 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)ethyl]-1-hydroxyurea is sourced from PubChem (CID 57028878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).