N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine

C22H18N2O — CID 102278189

IUPACN-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine
SMILESCc1ccc(N=C=Nc2ccccc2[C@H]2O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H18N2O/c1-16-11-13-18(14-12-16)23-15-24-20-10-6-5-9-19(20)22-21(25-22)17-7-3-2-4-8-17/h2-14,21-22H,1H3/t21-,22-/m1/s1
InChIKeyYHZWIWRVTXORTK-FGZHOGPDSA-N
MW326.40 g/mol
LogP5.94
Rot. Bonds4

About N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine

N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine (PubChem CID 102278189) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine
PubChem CID102278189
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC NameN-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine
SMILESCc1ccc(N=C=Nc2ccccc2[C@H]2O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H18N2O/c1-16-11-13-18(14-12-16)23-15-24-20-10-6-5-9-19(20)22-21(25-22)17-7-3-2-4-8-17/h2-14,21-22H,1H3/t21-,22-/m1/s1
InChIKeyYHZWIWRVTXORTK-FGZHOGPDSA-N
XLogP5.94
TPSA37.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine with MolForge

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Related Compounds

2-(4-methylphenyl)-3-phenyloxirane
CID 602487
isocyanatobenzene;1-isocyanato-4-methylbenzene
CID 20510749
(E)-1-cyclopenta-2,4-dien-1-yl-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-en-1-one
CID 101057733
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
2-(2-iodophenyl)-3-phenyloxirane
CID 12728141
chloromethane;N,N'-diphenylmethanediimine
CID 160533177
N,N'-diphenylmethanediimine;fluoromethane
CID 158642010
N'-(2,3-dimethylphenyl)-N-phenylmethanediimine
CID 154114058
2-(2-ethynylphenyl)-3-phenyloxirane
CID 72775430
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
CID 177461861
(2S,3S)-2-(4-methylphenyl)sulfonyl-3-phenyloxirane
CID 102316632
N'-(4-methylphenyl)-N-(trimethylsilylmethyl)methanediimine
CID 102238219

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine?
The IUPAC name of N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine (CID 102278189) is N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine.
What is the SMILES notation for N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine?
The canonical SMILES for N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine is Cc1ccc(N=C=Nc2ccccc2[C@H]2O[C@@H]2c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine?
The InChIKey is YHZWIWRVTXORTK-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H18N2O/c1-16-11-13-18(14-12-16)23-15-24-20-10-6-5-9-19(20)22-21(25-22)17-7-3-2-4-8-17/h2-14,21-22H,1H3/t21-,22-/m1/s1.
What are the key properties of N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine?
N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine has a molecular weight of 326.40 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-[2-[(2R,3R)-3-phenyloxiran-2-yl]phenyl]methanediimine is sourced from PubChem (CID 102278189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).