(E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine

C16H12ClIN2O — CID 142217244

IUPAC(E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine
SMILESCOc1ccc2[nH]c(/C(=N/I)c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C16H12ClIN2O/c1-21-13-6-7-14-11(8-13)9-15(19-14)16(20-18)10-2-4-12(17)5-3-10/h2-9,19H,1H3/b20-16+
InChIKeyZJUVRIQYGKGGFV-CAPFRKAQSA-N
MW410.64 g/mol
LogP5.02
Rot. Bonds3

About (E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine

(E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine (PubChem CID 142217244) has the molecular formula C16H12ClIN2O and a molecular weight of 410.64 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine
PubChem CID142217244
Molecular FormulaC16H12ClIN2O
Molecular Weight410.64 g/mol
Exact Mass409.97
IUPAC Name(E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine
SMILESCOc1ccc2[nH]c(/C(=N/I)c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C16H12ClIN2O/c1-21-13-6-7-14-11(8-13)9-15(19-14)16(20-18)10-2-4-12(17)5-3-10/h2-9,19H,1H3/b20-16+
InChIKeyZJUVRIQYGKGGFV-CAPFRKAQSA-N
XLogP5.02
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.64
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
CID 123205970
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 41145274
(NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 178049101
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
5-methoxy-1H-indole-2-thiol
CID 119094198
N-(2-fluoro-4-iodophenyl)-5-methoxy-1H-indole-2-carboxamide
CID 2742913
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine (CID 142217244) is (E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine is COc1ccc2[nH]c(/C(=N/I)c3ccc(Cl)cc3)cc2c1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine?
The InChIKey is ZJUVRIQYGKGGFV-CAPFRKAQSA-N. The full InChI is InChI=1S/C16H12ClIN2O/c1-21-13-6-7-14-11(8-13)9-15(19-14)16(20-18)10-2-4-12(17)5-3-10/h2-9,19H,1H3/b20-16+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine?
(E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine has a molecular weight of 410.64 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine is sourced from PubChem (CID 142217244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).