1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea

C22H20N2O3 — CID 21245321

IUPAC1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea
SMILESCC(c1ccc2c(c1)oc1cc(Cc3ccccc3)ccc12)N(O)C(N)=O
InChIInChI=1S/C22H20N2O3/c1-14(24(26)22(23)25)17-8-10-19-18-9-7-16(11-15-5-3-2-4-6-15)12-20(18)27-21(19)13-17/h2-10,12-14,26H,11H2,1H3,(H2,23,25)
InChIKeyFPQJNNCUGSYZKU-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.01
Rot. Bonds4

About 1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea

1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea (PubChem CID 21245321) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea
PubChem CID21245321
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea
SMILESCC(c1ccc2c(c1)oc1cc(Cc3ccccc3)ccc12)N(O)C(N)=O
InChIInChI=1S/C22H20N2O3/c1-14(24(26)22(23)25)17-8-10-19-18-9-7-16(11-15-5-3-2-4-6-15)12-20(18)27-21(19)13-17/h2-10,12-14,26H,11H2,1H3,(H2,23,25)
InChIKeyFPQJNNCUGSYZKU-UHFFFAOYSA-N
XLogP5.01
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(7-benzyldibenzothiophen-3-yl)ethyl]-1-hydroxyurea
CID 21245322
1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea
CID 21293770
3-benzyldibenzofuran;hydrazine;methanimine
CID 142504911
1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea
CID 54481028
N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide
CID 23767729
1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea
CID 21293764
3-benzyl-7-(3-phenylphenyl)dibenzofuran
CID 162363334
2-dibenzofuran-3-yl-2-methoxyacetamide;hydrochloride
CID 142815739
1-amino-1-(4-benzylphenyl)butan-2-one
CID 174899338
N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline
CID 167208490
1-(4-benzylphenyl)ethanamine
CID 3962419
3-ethyldibenzofuran
CID 58510747

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea (CID 21245321) is 1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea is CC(c1ccc2c(c1)oc1cc(Cc3ccccc3)ccc12)N(O)C(N)=O.
What is the InChIKey of 1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea?
The InChIKey is FPQJNNCUGSYZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14(24(26)22(23)25)17-8-10-19-18-9-7-16(11-15-5-3-2-4-6-15)12-20(18)27-21(19)13-17/h2-10,12-14,26H,11H2,1H3,(H2,23,25).
What are the key properties of 1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea?
1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea has a molecular weight of 360.41 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 21245321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).