4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine

C25H27N3O2 — CID 102106544

IUPAC4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine
SMILESCOc1ccc(/N=C2\N(C)CC(Cc3ccccc3)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27N3O2/c1-27-18-22(17-19-7-5-4-6-8-19)28(21-11-15-24(30-3)16-12-21)25(27)26-20-9-13-23(29-2)14-10-20/h4-16,22H,17-18H2,1-3H3/b26-25+
InChIKeyJBYXDAXLFXMTBT-OCEACIFDSA-N
MW401.51 g/mol
LogP4.75
Rot. Bonds6

About 4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine

4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine (PubChem CID 102106544) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine.

Molecular Properties

Compound Name4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine
PubChem CID102106544
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine
SMILESCOc1ccc(/N=C2\N(C)CC(Cc3ccccc3)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27N3O2/c1-27-18-22(17-19-7-5-4-6-8-19)28(21-11-15-24(30-3)16-12-21)25(27)26-20-9-13-23(29-2)14-10-20/h4-16,22H,17-18H2,1-3H3/b26-25+
InChIKeyJBYXDAXLFXMTBT-OCEACIFDSA-N
XLogP4.75
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[[3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1-methylimidazolidin-4-yl]methyl]phenyl]-phenylmethanone;hydrochloride
CID 72722538
(2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine
CID 102380045
N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine
CID 171055873
(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 164624389
(5S)-5-benzyl-1,4-dimethylpiperazine-2,3-dione
CID 139093059
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
(2R)-2-benzyl-1-methylaziridine
CID 87174257
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine
CID 126702634
3-benzyl-1-(4-methoxyphenyl)piperazine
CID 54503810
(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
CID 10403184
2-benzyl-4-(4-methoxyphenyl)-1-methylsulfonylpiperazine;5-oxabicyclo[2.1.1]hexane
CID 67272644
ethyl (2R,3S)-3-benzyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 135014634

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine?
The IUPAC name of 4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine (CID 102106544) is 4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine.
What is the SMILES notation for 4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine?
The canonical SMILES for 4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine is COc1ccc(/N=C2\N(C)CC(Cc3ccccc3)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine?
The InChIKey is JBYXDAXLFXMTBT-OCEACIFDSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-27-18-22(17-19-7-5-4-6-8-19)28(21-11-15-24(30-3)16-12-21)25(27)26-20-9-13-23(29-2)14-10-20/h4-16,22H,17-18H2,1-3H3/b26-25+.
What are the key properties of 4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine?
4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine has a molecular weight of 401.51 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine is sourced from PubChem (CID 102106544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).