(E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine

C34H28N6S2 — CID 46197979

IUPAC(E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine
SMILESCn1c(-c2ccccc2)nc(/N=C/c2ccccc2)c1SSc1c(/N=C/c2ccccc2)nc(-c2ccccc2)n1C
InChIInChI=1S/C34H28N6S2/c1-39-31(27-19-11-5-12-20-27)37-29(35-23-25-15-7-3-8-16-25)33(39)41-42-34-30(36-24-26-17-9-4-10-18-26)38-32(40(34)2)28-21-13-6-14-22-28/h3-24H,1-2H3/b35-23+,36-24+
InChIKeyJTRARZMAWOIJHI-VJTPSNAYSA-N
MW584.77 g/mol
LogP8.79
Rot. Bonds9

About (E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine

(E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine (PubChem CID 46197979) has the molecular formula C34H28N6S2 and a molecular weight of 584.77 g/mol. Its IUPAC name is (E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine
PubChem CID46197979
Molecular FormulaC34H28N6S2
Molecular Weight584.77 g/mol
Exact Mass584.18
IUPAC Name(E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine
SMILESCn1c(-c2ccccc2)nc(/N=C/c2ccccc2)c1SSc1c(/N=C/c2ccccc2)nc(-c2ccccc2)n1C
InChIInChI=1S/C34H28N6S2/c1-39-31(27-19-11-5-12-20-27)37-29(35-23-25-15-7-3-8-16-25)33(39)41-42-34-30(36-24-26-17-9-4-10-18-26)38-32(40(34)2)28-21-13-6-14-22-28/h3-24H,1-2H3/b35-23+,36-24+
InChIKeyJTRARZMAWOIJHI-VJTPSNAYSA-N
XLogP8.79
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.77
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[5-[[5-[(E)-benzylideneamino]-2,3-diphenylimidazol-4-yl]disulfanyl]-1,2-diphenylimidazol-4-yl]-1-phenylmethanimine
CID 46198089
N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine
CID 3672393
1-phenyl-N-[4-(4-phenylphenyl)phenyl]methanimine
CID 101426517
N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine
CID 145470770
N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine
CID 139193639
1-methyl-2,5-diphenylimidazole-4-carbaldehyde
CID 14924912
(Z)-N-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 6182061
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
4-[2-(1,5-dimethyl-2-phenylimidazol-4-yl)ethyl]-1,5-dimethyl-2-phenylimidazole
CID 123608217
N,1-diphenylmethanimine
CID 10858
(E)-1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine
CID 51056845
1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine
CID 75608335

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine?
The IUPAC name of (E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine (CID 46197979) is (E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine.
What is the SMILES notation for (E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine?
The canonical SMILES for (E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine is Cn1c(-c2ccccc2)nc(/N=C/c2ccccc2)c1SSc1c(/N=C/c2ccccc2)nc(-c2ccccc2)n1C.
What is the InChIKey of (E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine?
The InChIKey is JTRARZMAWOIJHI-VJTPSNAYSA-N. The full InChI is InChI=1S/C34H28N6S2/c1-39-31(27-19-11-5-12-20-27)37-29(35-23-25-15-7-3-8-16-25)33(39)41-42-34-30(36-24-26-17-9-4-10-18-26)38-32(40(34)2)28-21-13-6-14-22-28/h3-24H,1-2H3/b35-23+,36-24+.
What are the key properties of (E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine?
(E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine has a molecular weight of 584.77 g/mol, XLogP of 8.79, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[[5-[(E)-benzylideneamino]-3-methyl-2-phenylimidazol-4-yl]disulfanyl]-1-methyl-2-phenylimidazol-4-yl]-1-phenylmethanimine is sourced from PubChem (CID 46197979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).