(E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine

C30H28N4 — CID 92858993

IUPAC(E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine
SMILESCC1N(/N=C/c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)N1/N=C/c1ccccc1
InChIInChI=1S/C30H28N4/c1-24-33(31-22-25-14-6-2-7-15-25)29(27-18-10-4-11-19-27)30(28-20-12-5-13-21-28)34(24)32-23-26-16-8-3-9-17-26/h2-24,29-30H,1H3/b31-22+,32-23+/t24?,29-,30+
InChIKeyZFJQYECGRCXXIO-FNAFAITPSA-N
MW444.58 g/mol
LogP6.50
Rot. Bonds6

About (E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine

(E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine (PubChem CID 92858993) has the molecular formula C30H28N4 and a molecular weight of 444.58 g/mol. Its IUPAC name is (E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine
PubChem CID92858993
Molecular FormulaC30H28N4
Molecular Weight444.58 g/mol
Exact Mass444.23
IUPAC Name(E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine
SMILESCC1N(/N=C/c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)N1/N=C/c1ccccc1
InChIInChI=1S/C30H28N4/c1-24-33(31-22-25-14-6-2-7-15-25)29(27-18-10-4-11-19-27)30(28-20-12-5-13-21-28)34(24)32-23-26-16-8-3-9-17-26/h2-24,29-30H,1H3/b31-22+,32-23+/t24?,29-,30+
InChIKeyZFJQYECGRCXXIO-FNAFAITPSA-N
XLogP6.50
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4R,5S)-3-[(Z)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine
CID 92529360
(E)-N-[(4S,5S)-2-oxido-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-ium-2-yl]-1-phenylmethanimine
CID 177413293
(Z)-1-phenyl-N-pyrrol-1-ylmethanimine
CID 5374198
ethane;N-methyl-1-phenylmethanimine
CID 90887000
1-(benzylideneamino)-4,6-dimethylpyridin-2-one
CID 909651
(2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one
CID 805397
(2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one
CID 40531961
N,1-diphenylmethanimine
CID 10858
N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine
CID 11014227
(E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine
CID 172916281
3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one
CID 91945300
1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one
CID 71329991

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine?
The IUPAC name of (E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine (CID 92858993) is (E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine.
What is the SMILES notation for (E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine?
The canonical SMILES for (E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine is CC1N(/N=C/c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)N1/N=C/c1ccccc1.
What is the InChIKey of (E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine?
The InChIKey is ZFJQYECGRCXXIO-FNAFAITPSA-N. The full InChI is InChI=1S/C30H28N4/c1-24-33(31-22-25-14-6-2-7-15-25)29(27-18-10-4-11-19-27)30(28-20-12-5-13-21-28)34(24)32-23-26-16-8-3-9-17-26/h2-24,29-30H,1H3/b31-22+,32-23+/t24?,29-,30+.
What are the key properties of (E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine?
(E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine has a molecular weight of 444.58 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine is sourced from PubChem (CID 92858993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).