(E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine

C18H18Br2N2 — CID 54603838

IUPAC(E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine
SMILESCC/C(=N\N=C(/CC)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H18Br2N2/c1-3-17(13-5-9-15(19)10-6-13)21-22-18(4-2)14-7-11-16(20)12-8-14/h5-12H,3-4H2,1-2H3/b21-17+,22-18+
InChIKeyHESJEUSORFTBEI-KSTNYAOJSA-N
MW422.16 g/mol
LogP6.22
Rot. Bonds5

About (E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine

(E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine (PubChem CID 54603838) has the molecular formula C18H18Br2N2 and a molecular weight of 422.16 g/mol. Its IUPAC name is (E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine.

Molecular Properties

Compound Name(E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine
PubChem CID54603838
Molecular FormulaC18H18Br2N2
Molecular Weight422.16 g/mol
Exact Mass419.98
IUPAC Name(E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine
SMILESCC/C(=N\N=C(/CC)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H18Br2N2/c1-3-17(13-5-9-15(19)10-6-13)21-22-18(4-2)14-7-11-16(20)12-8-14/h5-12H,3-4H2,1-2H3/b21-17+,22-18+
InChIKeyHESJEUSORFTBEI-KSTNYAOJSA-N
XLogP6.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.16
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine?
The IUPAC name of (E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine (CID 54603838) is (E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine.
What is the SMILES notation for (E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine?
The canonical SMILES for (E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine is CC/C(=N\N=C(/CC)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of (E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine?
The InChIKey is HESJEUSORFTBEI-KSTNYAOJSA-N. The full InChI is InChI=1S/C18H18Br2N2/c1-3-17(13-5-9-15(19)10-6-13)21-22-18(4-2)14-7-11-16(20)12-8-14/h5-12H,3-4H2,1-2H3/b21-17+,22-18+.
What are the key properties of (E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine?
(E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine has a molecular weight of 422.16 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-bromophenyl)-N-[(E)-1-(4-bromophenyl)propylideneamino]propan-1-imine is sourced from PubChem (CID 54603838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).