[4-(2-phenyliminoethylideneamino)phenyl] methanimidate

C15H13N3O — CID 88975331

IUPAC[4-(2-phenyliminoethylideneamino)phenyl] methanimidate
SMILES[H]/N=C/Oc1ccc(/N=C/C=N/c2ccccc2)cc1
InChIInChI=1S/C15H13N3O/c16-12-19-15-8-6-14(7-9-15)18-11-10-17-13-4-2-1-3-5-13/h1-12,16H/b16-12+,17-10+,18-11+
InChIKeyUJXLRQLUSVFHOA-PTHQAKNWSA-N
MW251.29 g/mol
LogP3.78
Rot. Bonds5

About [4-(2-phenyliminoethylideneamino)phenyl] methanimidate

[4-(2-phenyliminoethylideneamino)phenyl] methanimidate (PubChem CID 88975331) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is [4-(2-phenyliminoethylideneamino)phenyl] methanimidate.

Molecular Properties

Compound Name[4-(2-phenyliminoethylideneamino)phenyl] methanimidate
PubChem CID88975331
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name[4-(2-phenyliminoethylideneamino)phenyl] methanimidate
SMILES[H]/N=C/Oc1ccc(/N=C/C=N/c2ccccc2)cc1
InChIInChI=1S/C15H13N3O/c16-12-19-15-8-6-14(7-9-15)18-11-10-17-13-4-2-1-3-5-13/h1-12,16H/b16-12+,17-10+,18-11+
InChIKeyUJXLRQLUSVFHOA-PTHQAKNWSA-N
XLogP3.78
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(4-methanimidoyloxyphenyl)iminoethylideneamino]phenyl] methanimidate
CID 59800578
iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate
CID 88975332
bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine
CID 22968105
N-methyl-N'-phenylethane-1,2-diimine
CID 21014566
phenyl N-(4-phenylphenyl)methanimidate
CID 18795189
(Z)-3-phenyliminoprop-1-en-1-amine
CID 118014655
N-(4-methoxyphenyl)-2,2,2-triphenylethanimine
CID 10872538
(E)-N,4-diphenylbut-2-en-1-imine
CID 58165742
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
3-phenyliminoprop-1-en-1-one
CID 135039976
(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
N-phenylpenta-2,4-dien-1-imine
CID 123454989

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenyliminoethylideneamino)phenyl] methanimidate?
The IUPAC name of [4-(2-phenyliminoethylideneamino)phenyl] methanimidate (CID 88975331) is [4-(2-phenyliminoethylideneamino)phenyl] methanimidate.
What is the SMILES notation for [4-(2-phenyliminoethylideneamino)phenyl] methanimidate?
The canonical SMILES for [4-(2-phenyliminoethylideneamino)phenyl] methanimidate is [H]/N=C/Oc1ccc(/N=C/C=N/c2ccccc2)cc1.
What is the InChIKey of [4-(2-phenyliminoethylideneamino)phenyl] methanimidate?
The InChIKey is UJXLRQLUSVFHOA-PTHQAKNWSA-N. The full InChI is InChI=1S/C15H13N3O/c16-12-19-15-8-6-14(7-9-15)18-11-10-17-13-4-2-1-3-5-13/h1-12,16H/b16-12+,17-10+,18-11+.
What are the key properties of [4-(2-phenyliminoethylideneamino)phenyl] methanimidate?
[4-(2-phenyliminoethylideneamino)phenyl] methanimidate has a molecular weight of 251.29 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenyliminoethylideneamino)phenyl] methanimidate is sourced from PubChem (CID 88975331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).