(2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide

C24H24BrNO3 — CID 176507830

IUPAC(2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide
SMILESBr.COc1cc2c(cc1OC)=C(O)/C(=C/C1=CCN(Cc3ccccc3)C=C1)C=2
InChIInChI=1S/C24H23NO3.BrH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-10,12-15,26H,11,16H2,1-2H3;1H/b20-12+;
InChIKeyLRJIHTXBCSGJIQ-BGDWDFROSA-N
MW454.36 g/mol
LogP3.62
Rot. Bonds5

About (2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide

(2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide (PubChem CID 176507830) has the molecular formula C24H24BrNO3 and a molecular weight of 454.36 g/mol. Its IUPAC name is (2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide.

Molecular Properties

Compound Name(2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide
PubChem CID176507830
Molecular FormulaC24H24BrNO3
Molecular Weight454.36 g/mol
Exact Mass453.09
IUPAC Name(2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide
SMILESBr.COc1cc2c(cc1OC)=C(O)/C(=C/C1=CCN(Cc3ccccc3)C=C1)C=2
InChIInChI=1S/C24H23NO3.BrH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-10,12-15,26H,11,16H2,1-2H3;1H/b20-12+;
InChIKeyLRJIHTXBCSGJIQ-BGDWDFROSA-N
XLogP3.62
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide
CID 175687244
1-benzyl-4-methoxy-2H-pyridine
CID 131167872
1-benzyl-2H-pyridine-4-carboxamide
CID 13227960
(4-benzylpiperazin-1-yl)-(3,4-dimethoxyphenyl)methanethione
CID 1291602
(3E)-1-benzyl-3-[(3,4-dihydroxy-5-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 56763614
2-benzyl-5,6-dimethoxyisoindole-1,3-dione
CID 91665603
2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide
CID 14297049
(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
CID 5413985
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
1-benzyl-4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine
CID 1375737
4,5-dimethoxy-2-(2-phenylethyl)phenol
CID 174923457
1-benzyl-3-(4-fluoro-3-methoxyphenyl)indole-2-carboxylic acid
CID 130234249

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide?
The IUPAC name of (2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide (CID 176507830) is (2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide.
What is the SMILES notation for (2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide?
The canonical SMILES for (2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide is Br.COc1cc2c(cc1OC)=C(O)/C(=C/C1=CCN(Cc3ccccc3)C=C1)C=2.
What is the InChIKey of (2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide?
The InChIKey is LRJIHTXBCSGJIQ-BGDWDFROSA-N. The full InChI is InChI=1S/C24H23NO3.BrH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-10,12-15,26H,11,16H2,1-2H3;1H/b20-12+;.
What are the key properties of (2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide?
(2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide has a molecular weight of 454.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide is sourced from PubChem (CID 176507830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).