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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Related Compounds

N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 137029716
N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide
CID 137029695
N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-2,4-dinitroaniline
CID 137062422
2-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 137173889
3-(cyclooctyliminomethyl)-1H-indol-2-ol
CID 2256129
8-methoxy-3-methyl-2-phenyl-1H-quinolin-4-one
CID 104845886
cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate)
CID 139206912
copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate)
CID 139072232
4-(cyclohexyliminomethyl)-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one
CID 135485733
N-cyclooctyl-1-[2-(3-methylbutan-2-yloxy)-3,6-diphenylphenyl]methanimine
CID 122545421
N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine
CID 122545420
4-(cycloheptyliminomethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 804939

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).