(E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine

C18H13BrN2S — CID 89330312

IUPAC(E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine
SMILESBrc1ccsc1/C=N/N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H13BrN2S/c19-16-11-12-22-17(16)13-20-21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H/b20-13+
InChIKeyDYZTWIHQWYIBDD-DEDYPNTBSA-N
MW369.29 g/mol
LogP5.38
Rot. Bonds4

About (E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine

(E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine (PubChem CID 89330312) has the molecular formula C18H13BrN2S and a molecular weight of 369.29 g/mol. Its IUPAC name is (E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine
PubChem CID89330312
Molecular FormulaC18H13BrN2S
Molecular Weight369.29 g/mol
Exact Mass368.00
IUPAC Name(E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine
SMILESBrc1ccsc1/C=N/N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H13BrN2S/c19-16-11-12-22-17(16)13-20-21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H/b20-13+
InChIKeyDYZTWIHQWYIBDD-DEDYPNTBSA-N
XLogP5.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.29
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine?
The IUPAC name of (E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine (CID 89330312) is (E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine.
What is the SMILES notation for (E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine?
The canonical SMILES for (E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine is Brc1ccsc1/C=N/N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine?
The InChIKey is DYZTWIHQWYIBDD-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H13BrN2S/c19-16-11-12-22-17(16)13-20-21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H/b20-13+.
What are the key properties of (E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine?
(E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine has a molecular weight of 369.29 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine is sourced from PubChem (CID 89330312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).