N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine

C24H22N2O — CID 137107411

IUPACN-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc(C)cc3C)c2c1
InChIInChI=1S/C24H22N2O/c1-16-9-11-22(17(2)13-16)25-15-21-20-14-19(27-3)10-12-23(20)26-24(21)18-7-5-4-6-8-18/h4-15,26H,1-3H3/b25-15+
InChIKeyKKFQBAQPCDYBMH-MFKUBSTISA-N
MW354.45 g/mol
LogP6.21
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine

N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine (PubChem CID 137107411) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine
PubChem CID137107411
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC NameN-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc(C)cc3C)c2c1
InChIInChI=1S/C24H22N2O/c1-16-9-11-22(17(2)13-16)25-15-21-20-14-19(27-3)10-12-23(20)26-24(21)18-7-5-4-6-8-18/h4-15,26H,1-3H3/b25-15+
InChIKeyKKFQBAQPCDYBMH-MFKUBSTISA-N
XLogP6.21
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol
CID 137107988
3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
CID 136996408
5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996378
3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 137166777
2-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylidene]propanedinitrile
CID 23861723
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534
N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine
CID 1272184
4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135614167
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine
CID 82024001

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine (CID 137107411) is N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine is COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc(C)cc3C)c2c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine?
The InChIKey is KKFQBAQPCDYBMH-MFKUBSTISA-N. The full InChI is InChI=1S/C24H22N2O/c1-16-9-11-22(17(2)13-16)25-15-21-20-14-19(27-3)10-12-23(20)26-24(21)18-7-5-4-6-8-18/h4-15,26H,1-3H3/b25-15+.
What are the key properties of N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine?
N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine has a molecular weight of 354.45 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine is sourced from PubChem (CID 137107411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).