1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine

C23H19ClN2 — CID 2725334

IUPAC1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2c(-c3ccccc3Cl)[nH]c3ccccc23)cc1C
InChIInChI=1S/C23H19ClN2/c1-15-11-12-17(13-16(15)2)25-14-20-18-7-4-6-10-22(18)26-23(20)19-8-3-5-9-21(19)24/h3-14,26H,1-2H3/b25-14+
InChIKeyVBSZZDDVPXBQTG-AFUMVMLFSA-N
MW358.87 g/mol
LogP6.86
Rot. Bonds3

About 1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine

1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine (PubChem CID 2725334) has the molecular formula C23H19ClN2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine
PubChem CID2725334
Molecular FormulaC23H19ClN2
Molecular Weight358.87 g/mol
Exact Mass358.12
IUPAC Name1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2c(-c3ccccc3Cl)[nH]c3ccccc23)cc1C
InChIInChI=1S/C23H19ClN2/c1-15-11-12-17(13-16(15)2)25-14-20-18-7-4-6-10-22(18)26-23(20)19-8-3-5-9-21(19)24/h3-14,26H,1-2H3/b25-14+
InChIKeyVBSZZDDVPXBQTG-AFUMVMLFSA-N
XLogP6.86
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.87
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine?
The IUPAC name of 1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine (CID 2725334) is 1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine is Cc1ccc(/N=C/c2c(-c3ccccc3Cl)[nH]c3ccccc23)cc1C.
What is the InChIKey of 1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine?
The InChIKey is VBSZZDDVPXBQTG-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H19ClN2/c1-15-11-12-17(13-16(15)2)25-14-20-18-7-4-6-10-22(18)26-23(20)19-8-3-5-9-21(19)24/h3-14,26H,1-2H3/b25-14+.
What are the key properties of 1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine?
1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine has a molecular weight of 358.87 g/mol, XLogP of 6.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-(3,4-dimethylphenyl)methanimine is sourced from PubChem (CID 2725334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).