7-bromo-2,4,5-triphenylheptanimidamide

C25H27BrN2 — CID 57318864

IUPAC7-bromo-2,4,5-triphenylheptanimidamide
SMILES[H]/N=C(\N)C(CC(c1ccccc1)C(CCBr)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27BrN2/c26-17-16-22(19-10-4-1-5-11-19)23(20-12-6-2-7-13-20)18-24(25(27)28)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2,(H3,27,28)
InChIKeyYBJDGHNKLHIFQH-UHFFFAOYSA-N
MW435.41 g/mol
LogP6.45
Rot. Bonds9

About 7-bromo-2,4,5-triphenylheptanimidamide

7-bromo-2,4,5-triphenylheptanimidamide (PubChem CID 57318864) has the molecular formula C25H27BrN2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 7-bromo-2,4,5-triphenylheptanimidamide.

Molecular Properties

Compound Name7-bromo-2,4,5-triphenylheptanimidamide
PubChem CID57318864
Molecular FormulaC25H27BrN2
Molecular Weight435.41 g/mol
Exact Mass434.14
IUPAC Name7-bromo-2,4,5-triphenylheptanimidamide
SMILES[H]/N=C(\N)C(CC(c1ccccc1)C(CCBr)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27BrN2/c26-17-16-22(19-10-4-1-5-11-19)23(20-12-6-2-7-13-20)18-24(25(27)28)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2,(H3,27,28)
InChIKeyYBJDGHNKLHIFQH-UHFFFAOYSA-N
XLogP6.45
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,4,5-triphenylheptanimidamide?
The IUPAC name of 7-bromo-2,4,5-triphenylheptanimidamide (CID 57318864) is 7-bromo-2,4,5-triphenylheptanimidamide.
What is the SMILES notation for 7-bromo-2,4,5-triphenylheptanimidamide?
The canonical SMILES for 7-bromo-2,4,5-triphenylheptanimidamide is [H]/N=C(\N)C(CC(c1ccccc1)C(CCBr)c1ccccc1)c1ccccc1.
What is the InChIKey of 7-bromo-2,4,5-triphenylheptanimidamide?
The InChIKey is YBJDGHNKLHIFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2/c26-17-16-22(19-10-4-1-5-11-19)23(20-12-6-2-7-13-20)18-24(25(27)28)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2,(H3,27,28).
What are the key properties of 7-bromo-2,4,5-triphenylheptanimidamide?
7-bromo-2,4,5-triphenylheptanimidamide has a molecular weight of 435.41 g/mol, XLogP of 6.45, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,4,5-triphenylheptanimidamide is sourced from PubChem (CID 57318864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).