N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide

C25H19BrN2O2 — CID 3360452

IUPACN'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide
SMILESOc1ccc(N(/C(=N/c2ccc(Br)cc2)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C25H19BrN2O2/c26-19-6-8-20(9-7-19)27-25(18-4-2-1-3-5-18)28(21-10-14-23(29)15-11-21)22-12-16-24(30)17-13-22/h1-17,29-30H/b27-25+
InChIKeyLWBAGYAEWOCZHJ-IMVLJIQESA-N
MW459.34 g/mol
LogP6.78
Rot. Bonds4

About N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide

N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide (PubChem CID 3360452) has the molecular formula C25H19BrN2O2 and a molecular weight of 459.34 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide
PubChem CID3360452
Molecular FormulaC25H19BrN2O2
Molecular Weight459.34 g/mol
Exact Mass458.06
IUPAC NameN'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide
SMILESOc1ccc(N(/C(=N/c2ccc(Br)cc2)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C25H19BrN2O2/c26-19-6-8-20(9-7-19)27-25(18-4-2-1-3-5-18)28(21-10-14-23(29)15-11-21)22-12-16-24(30)17-13-22/h1-17,29-30H/b27-25+
InChIKeyLWBAGYAEWOCZHJ-IMVLJIQESA-N
XLogP6.78
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.34
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide?
The IUPAC name of N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide (CID 3360452) is N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide is Oc1ccc(N(/C(=N/c2ccc(Br)cc2)c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide?
The InChIKey is LWBAGYAEWOCZHJ-IMVLJIQESA-N. The full InChI is InChI=1S/C25H19BrN2O2/c26-19-6-8-20(9-7-19)27-25(18-4-2-1-3-5-18)28(21-10-14-23(29)15-11-21)22-12-16-24(30)17-13-22/h1-17,29-30H/b27-25+.
What are the key properties of N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide?
N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide has a molecular weight of 459.34 g/mol, XLogP of 6.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide is sourced from PubChem (CID 3360452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).