N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine

C14H10N4 — CID 15804369

IUPACN'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine
SMILESN=C=Nc1ccc(-c2ccc(N=C=N)cc2)cc1
InChIInChI=1S/C14H10N4/c15-9-17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18-10-16/h1-8,15-16H
InChIKeyITHVZDQKMPVVIW-UHFFFAOYSA-N
MW234.26 g/mol
LogP4.12
Rot. Bonds3

About N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine

N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine (PubChem CID 15804369) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine.

Molecular Properties

Compound NameN'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine
PubChem CID15804369
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC NameN'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine
SMILESN=C=Nc1ccc(-c2ccc(N=C=N)cc2)cc1
InChIInChI=1S/C14H10N4/c15-9-17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18-10-16/h1-8,15-16H
InChIKeyITHVZDQKMPVVIW-UHFFFAOYSA-N
XLogP4.12
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine?
The IUPAC name of N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine (CID 15804369) is N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine.
What is the SMILES notation for N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine?
The canonical SMILES for N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine is N=C=Nc1ccc(-c2ccc(N=C=N)cc2)cc1.
What is the InChIKey of N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine?
The InChIKey is ITHVZDQKMPVVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-9-17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18-10-16/h1-8,15-16H.
What are the key properties of N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine?
N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine has a molecular weight of 234.26 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine is sourced from PubChem (CID 15804369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).