3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol

C23H23FN2O4 — CID 135928909

IUPAC3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol
SMILESCOc1ccc(C/N=C2\C=C(c3c(O)[nH]c4cc(F)ccc34)OC2(C)C)c(OC)c1
InChIInChI=1S/C23H23FN2O4/c1-23(2)20(25-12-13-5-7-15(28-3)10-18(13)29-4)11-19(30-23)21-16-8-6-14(24)9-17(16)26-22(21)27/h5-11,26-27H,12H2,1-4H3/b25-20+
InChIKeyGHEYCMDGSUTADG-LKUDQCMESA-N
MW410.45 g/mol
LogP4.82
Rot. Bonds5

About 3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol

3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol (PubChem CID 135928909) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is 3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol
PubChem CID135928909
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol
SMILESCOc1ccc(C/N=C2\C=C(c3c(O)[nH]c4cc(F)ccc34)OC2(C)C)c(OC)c1
InChIInChI=1S/C23H23FN2O4/c1-23(2)20(25-12-13-5-7-15(28-3)10-18(13)29-4)11-19(30-23)21-16-8-6-14(24)9-17(16)26-22(21)27/h5-11,26-27H,12H2,1-4H3/b25-20+
InChIKeyGHEYCMDGSUTADG-LKUDQCMESA-N
XLogP4.82
TPSA76.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 66834694
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27256771
2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 155435073
N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110860582
2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 73211515
4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine
CID 71423908
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
N-[(2,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)-4-methyl-7a-(trifluoromethyl)-3,4a,5,7-tetrahydrofuro[3,4-e][1,3]oxazin-2-imine
CID 140590439
1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115967968
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034
3-fluoro-6-methoxy-9H-carbazole
CID 171714917
2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 84560321

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol?
The IUPAC name of 3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol (CID 135928909) is 3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol is COc1ccc(C/N=C2\C=C(c3c(O)[nH]c4cc(F)ccc34)OC2(C)C)c(OC)c1.
What is the InChIKey of 3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol?
The InChIKey is GHEYCMDGSUTADG-LKUDQCMESA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-23(2)20(25-12-13-5-7-15(28-3)10-18(13)29-4)11-19(30-23)21-16-8-6-14(24)9-17(16)26-22(21)27/h5-11,26-27H,12H2,1-4H3/b25-20+.
What are the key properties of 3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol?
3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol has a molecular weight of 410.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,4-dimethoxyphenyl)methylimino]-5,5-dimethylfuran-2-yl]-6-fluoro-1H-indol-2-ol is sourced from PubChem (CID 135928909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).