(Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine

C26H24BrNO2 — CID 95242510

IUPAC(Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine
SMILESCc1cc(C)c(C/C(=N/OCc2ccccc2)c2cc3cc(Br)ccc3o2)c(C)c1
InChIInChI=1S/C26H24BrNO2/c1-17-11-18(2)23(19(3)12-17)15-24(28-29-16-20-7-5-4-6-8-20)26-14-21-13-22(27)9-10-25(21)30-26/h4-14H,15-16H2,1-3H3/b28-24-
InChIKeyJNWSRVTVPHJPNE-COOPMVRXSA-N
MW462.39 g/mol
LogP7.28
Rot. Bonds6

About (Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine

(Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine (PubChem CID 95242510) has the molecular formula C26H24BrNO2 and a molecular weight of 462.39 g/mol. Its IUPAC name is (Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine.

Molecular Properties

Compound Name(Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine
PubChem CID95242510
Molecular FormulaC26H24BrNO2
Molecular Weight462.39 g/mol
Exact Mass461.10
IUPAC Name(Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine
SMILESCc1cc(C)c(C/C(=N/OCc2ccccc2)c2cc3cc(Br)ccc3o2)c(C)c1
InChIInChI=1S/C26H24BrNO2/c1-17-11-18(2)23(19(3)12-17)15-24(28-29-16-20-7-5-4-6-8-20)26-14-21-13-22(27)9-10-25(21)30-26/h4-14H,15-16H2,1-3H3/b28-24-
InChIKeyJNWSRVTVPHJPNE-COOPMVRXSA-N
XLogP7.28
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.39
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide
CID 44567469
1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine
CID 3593438
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 19225280
5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran
CID 19918528
N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435
5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 55957273
benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 60550544
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
1-(5-bromo-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-one
CID 170859266
methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225311

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine?
The IUPAC name of (Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine (CID 95242510) is (Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine.
What is the SMILES notation for (Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine?
The canonical SMILES for (Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine is Cc1cc(C)c(C/C(=N/OCc2ccccc2)c2cc3cc(Br)ccc3o2)c(C)c1.
What is the InChIKey of (Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine?
The InChIKey is JNWSRVTVPHJPNE-COOPMVRXSA-N. The full InChI is InChI=1S/C26H24BrNO2/c1-17-11-18(2)23(19(3)12-17)15-24(28-29-16-20-7-5-4-6-8-20)26-14-21-13-22(27)9-10-25(21)30-26/h4-14H,15-16H2,1-3H3/b28-24-.
What are the key properties of (Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine?
(Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine has a molecular weight of 462.39 g/mol, XLogP of 7.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine is sourced from PubChem (CID 95242510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).