3-benzyldibenzofuran;hydrazine;methanimine

C20H21N3O — CID 142504911

IUPAC3-benzyldibenzofuran;hydrazine;methanimine
SMILESNN.[H]N=C.c1ccc(Cc2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C19H14O.CH3N.H4N2/c1-2-6-14(7-3-1)12-15-10-11-17-16-8-4-5-9-18(16)20-19(17)13-15;2*1-2/h1-11,13H,12H2;2H,1H2;1-2H2
InChIKeySGXYOUUKBXLSAQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.26
Rot. Bonds2

About 3-benzyldibenzofuran;hydrazine;methanimine

3-benzyldibenzofuran;hydrazine;methanimine (PubChem CID 142504911) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-benzyldibenzofuran;hydrazine;methanimine.

Molecular Properties

Compound Name3-benzyldibenzofuran;hydrazine;methanimine
PubChem CID142504911
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-benzyldibenzofuran;hydrazine;methanimine
SMILESNN.[H]N=C.c1ccc(Cc2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C19H14O.CH3N.H4N2/c1-2-6-14(7-3-1)12-15-10-11-17-16-8-4-5-9-18(16)20-19(17)13-15;2*1-2/h1-11,13H,12H2;2H,1H2;1-2H2
InChIKeySGXYOUUKBXLSAQ-UHFFFAOYSA-N
XLogP4.26
TPSA89.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-benzylxanthene-9-thione
CID 88726523
3-benzyl-7-(3-phenylphenyl)dibenzofuran
CID 162363334
3-ethyldibenzofuran
CID 58510747
1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea
CID 21245321
dibenzofuran-3-ylmethyl prop-2-enoate
CID 90268477
1-(dibenzofuran-3-ylmethyl)-2-methylhydrazine;hydrochloride
CID 159122805
2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran
CID 159538569
N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline
CID 167208490
3-(2-pyren-2-ylethyl)dibenzofuran
CID 167053291
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140998

Frequently Asked Questions

What is the IUPAC name of 3-benzyldibenzofuran;hydrazine;methanimine?
The IUPAC name of 3-benzyldibenzofuran;hydrazine;methanimine (CID 142504911) is 3-benzyldibenzofuran;hydrazine;methanimine.
What is the SMILES notation for 3-benzyldibenzofuran;hydrazine;methanimine?
The canonical SMILES for 3-benzyldibenzofuran;hydrazine;methanimine is NN.[H]N=C.c1ccc(Cc2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 3-benzyldibenzofuran;hydrazine;methanimine?
The InChIKey is SGXYOUUKBXLSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O.CH3N.H4N2/c1-2-6-14(7-3-1)12-15-10-11-17-16-8-4-5-9-18(16)20-19(17)13-15;2*1-2/h1-11,13H,12H2;2H,1H2;1-2H2.
What are the key properties of 3-benzyldibenzofuran;hydrazine;methanimine?
3-benzyldibenzofuran;hydrazine;methanimine has a molecular weight of 319.41 g/mol, XLogP of 4.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyldibenzofuran;hydrazine;methanimine is sourced from PubChem (CID 142504911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).