(E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine

C21H16Cl2N2 — CID 24721019

IUPAC(E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine
SMILESClc1ccc(/C=N/C(/N=C/c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H16Cl2N2/c22-19-10-6-16(7-11-19)14-24-21(18-4-2-1-3-5-18)25-15-17-8-12-20(23)13-9-17/h1-15,21H/b24-14+,25-15+
InChIKeyOIVWPVQJHDZUAX-KOJZRSEWSA-N
MW367.28 g/mol
LogP6.23
Rot. Bonds5

About (E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine

(E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine (PubChem CID 24721019) has the molecular formula C21H16Cl2N2 and a molecular weight of 367.28 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine
PubChem CID24721019
Molecular FormulaC21H16Cl2N2
Molecular Weight367.28 g/mol
Exact Mass366.07
IUPAC Name(E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine
SMILESClc1ccc(/C=N/C(/N=C/c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H16Cl2N2/c22-19-10-6-16(7-11-19)14-24-21(18-4-2-1-3-5-18)25-15-17-8-12-20(23)13-9-17/h1-15,21H/b24-14+,25-15+
InChIKeyOIVWPVQJHDZUAX-KOJZRSEWSA-N
XLogP6.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(4-chlorophenyl)methylideneamino]-2-phenylethanol
CID 11253959
1-(4-chlorophenyl)-N-propan-2-ylmethanimine
CID 11622447
ethyl 2-[(4-chlorophenyl)methylideneamino]-2-phenylacetate
CID 10662075
(Z)-1-(4-chlorophenyl)-N-phenoxymethanimine
CID 5368892
1-benzhydryl-4-chlorobenzene
CID 13050205
N-[(benzylideneamino)-phenylmethyl]-1-phenylmethanimine;1,3-thiazole-2-carbaldehyde
CID 87491424
1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol
CID 67465874
1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene
CID 21052449
CID 10012124
CID 10012124
2-(benzylideneamino)-3-(4-chlorophenyl)-3,3-difluoropropanenitrile
CID 167360209
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide
CID 126210762

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine (CID 24721019) is (E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine is Clc1ccc(/C=N/C(/N=C/c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine?
The InChIKey is OIVWPVQJHDZUAX-KOJZRSEWSA-N. The full InChI is InChI=1S/C21H16Cl2N2/c22-19-10-6-16(7-11-19)14-24-21(18-4-2-1-3-5-18)25-15-17-8-12-20(23)13-9-17/h1-15,21H/b24-14+,25-15+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine?
(E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine has a molecular weight of 367.28 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine is sourced from PubChem (CID 24721019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).