4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine

C23H20N2 — CID 69131100

IUPAC4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CC(=C(c2ccccc2)c2c(C)n(C)c3ccccc23)C=C1
InChIInChI=1S/C23H20N2/c1-16-22(20-10-6-7-11-21(20)25(16)2)23(17-8-4-3-5-9-17)18-12-14-19(24)15-13-18/h3-15,24H,1-2H3/b23-18-,24-19+
InChIKeyICUQSBJJVOAUIL-XPKROWLPSA-N
MW324.43 g/mol
LogP5.43
Rot. Bonds2

About 4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine

4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine (PubChem CID 69131100) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Name4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine
PubChem CID69131100
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CC(=C(c2ccccc2)c2c(C)n(C)c3ccccc23)C=C1
InChIInChI=1S/C23H20N2/c1-16-22(20-10-6-7-11-21(20)25(16)2)23(17-8-4-3-5-9-17)18-12-14-19(24)15-13-18/h3-15,24H,1-2H3/b23-18-,24-19+
InChIKeyICUQSBJJVOAUIL-XPKROWLPSA-N
XLogP5.43
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine?
The IUPAC name of 4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine (CID 69131100) is 4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine.
What is the SMILES notation for 4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine?
The canonical SMILES for 4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine is [H]N=C1C=CC(=C(c2ccccc2)c2c(C)n(C)c3ccccc23)C=C1.
What is the InChIKey of 4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine?
The InChIKey is ICUQSBJJVOAUIL-XPKROWLPSA-N. The full InChI is InChI=1S/C23H20N2/c1-16-22(20-10-6-7-11-21(20)25(16)2)23(17-8-4-3-5-9-17)18-12-14-19(24)15-13-18/h3-15,24H,1-2H3/b23-18-,24-19+.
What are the key properties of 4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine?
4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine has a molecular weight of 324.43 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 69131100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).