4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline

C24H26N4 — CID 118715909

IUPAC4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=C2\c3ccccc3CN2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H26N4/c1-26(2)20-11-9-19(10-12-20)25-24-23-8-6-5-7-18(23)17-28(24)22-15-13-21(14-16-22)27(3)4/h5-16H,17H2,1-4H3/b25-24+
InChIKeyFXIBEIMKBAKDSZ-OCOZRVBESA-N
MW370.50 g/mol
LogP4.92
Rot. Bonds4

About 4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline

4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline (PubChem CID 118715909) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline
PubChem CID118715909
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=C2\c3ccccc3CN2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H26N4/c1-26(2)20-11-9-19(10-12-20)25-24-23-8-6-5-7-18(23)17-28(24)22-15-13-21(14-16-22)27(3)4/h5-16H,17H2,1-4H3/b25-24+
InChIKeyFXIBEIMKBAKDSZ-OCOZRVBESA-N
XLogP4.92
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline?
The IUPAC name of 4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline (CID 118715909) is 4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline?
The canonical SMILES for 4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline is CN(C)c1ccc(/N=C2\c3ccccc3CN2c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline?
The InChIKey is FXIBEIMKBAKDSZ-OCOZRVBESA-N. The full InChI is InChI=1S/C24H26N4/c1-26(2)20-11-9-19(10-12-20)25-24-23-8-6-5-7-18(23)17-28(24)22-15-13-21(14-16-22)27(3)4/h5-16H,17H2,1-4H3/b25-24+.
What are the key properties of 4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline?
4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline has a molecular weight of 370.50 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(dimethylamino)phenyl]-3H-isoindol-1-ylidene]amino]-N,N-dimethylaniline is sourced from PubChem (CID 118715909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).