(E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine

C24H17Br2N3O — CID 136934837

IUPAC(E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine
SMILESCc1ccc(CO/N=C2/C(c3c[nH]c4ccc(Br)cc34)=Nc3ccc(Br)cc32)cc1
InChIInChI=1S/C24H17Br2N3O/c1-14-2-4-15(5-3-14)13-30-29-24-19-11-17(26)7-9-22(19)28-23(24)20-12-27-21-8-6-16(25)10-18(20)21/h2-12,27H,13H2,1H3/b29-24+
InChIKeyRSRQVZMPQFKGJI-RMLRFSFXSA-N
MW523.23 g/mol
LogP7.06
Rot. Bonds4

About (E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine

(E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine (PubChem CID 136934837) has the molecular formula C24H17Br2N3O and a molecular weight of 523.23 g/mol. Its IUPAC name is (E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine.

Molecular Properties

Compound Name(E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine
PubChem CID136934837
Molecular FormulaC24H17Br2N3O
Molecular Weight523.23 g/mol
Exact Mass520.97
IUPAC Name(E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine
SMILESCc1ccc(CO/N=C2/C(c3c[nH]c4ccc(Br)cc34)=Nc3ccc(Br)cc32)cc1
InChIInChI=1S/C24H17Br2N3O/c1-14-2-4-15(5-3-14)13-30-29-24-19-11-17(26)7-9-22(19)28-23(24)20-12-27-21-8-6-16(25)10-18(20)21/h2-12,27H,13H2,1H3/b29-24+
InChIKeyRSRQVZMPQFKGJI-RMLRFSFXSA-N
XLogP7.06
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.23
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine?
The IUPAC name of (E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine (CID 136934837) is (E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine.
What is the SMILES notation for (E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine?
The canonical SMILES for (E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine is Cc1ccc(CO/N=C2/C(c3c[nH]c4ccc(Br)cc34)=Nc3ccc(Br)cc32)cc1.
What is the InChIKey of (E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine?
The InChIKey is RSRQVZMPQFKGJI-RMLRFSFXSA-N. The full InChI is InChI=1S/C24H17Br2N3O/c1-14-2-4-15(5-3-14)13-30-29-24-19-11-17(26)7-9-22(19)28-23(24)20-12-27-21-8-6-16(25)10-18(20)21/h2-12,27H,13H2,1H3/b29-24+.
What are the key properties of (E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine?
(E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine has a molecular weight of 523.23 g/mol, XLogP of 7.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-bromo-2-(5-bromo-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]indol-3-imine is sourced from PubChem (CID 136934837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).