N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine

C22H24N2O — CID 137062424

IUPACN-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine
SMILESCOc1cccc2c(/C=N/C3CCCCC3)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C22H24N2O/c1-25-20-14-8-13-18-19(15-23-17-11-6-3-7-12-17)21(24-22(18)20)16-9-4-2-5-10-16/h2,4-5,8-10,13-15,17,24H,3,6-7,11-12H2,1H3/b23-15+
InChIKeyHZBZDAMFTDMLCV-HZHRSRAPSA-N
MW332.45 g/mol
LogP5.60
Rot. Bonds4

About N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine

N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine (PubChem CID 137062424) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine
PubChem CID137062424
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine
SMILESCOc1cccc2c(/C=N/C3CCCCC3)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C22H24N2O/c1-25-20-14-8-13-18-19(15-23-17-11-6-3-7-12-17)21(24-22(18)20)16-9-4-2-5-10-16/h2,4-5,8-10,13-15,17,24H,3,6-7,11-12H2,1H3/b23-15+
InChIKeyHZBZDAMFTDMLCV-HZHRSRAPSA-N
XLogP5.60
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.60
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 N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine?
The IUPAC name of N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine (CID 137062424) is N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine.
What is the SMILES notation for N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine?
The canonical SMILES for N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine is COc1cccc2c(/C=N/C3CCCCC3)c(-c3ccccc3)[nH]c12.
What is the InChIKey of N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine?
The InChIKey is HZBZDAMFTDMLCV-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H24N2O/c1-25-20-14-8-13-18-19(15-23-17-11-6-3-7-12-17)21(24-22(18)20)16-9-4-2-5-10-16/h2,4-5,8-10,13-15,17,24H,3,6-7,11-12H2,1H3/b23-15+.
What are the key properties of N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine?
N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine has a molecular weight of 332.45 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine is sourced from PubChem (CID 137062424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).