ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate

C25H32N4O2 — CID 177044461

IUPACethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate
SMILESCCOC(=O)/C=N/N=C1N(c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C
InChIInChI=1S/C25H32N4O2/c1-8-31-22(30)15-26-27-25-28(23-18(4)11-16(2)12-19(23)5)9-10-29(25)24-20(6)13-17(3)14-21(24)7/h11-15H,8-10H2,1-7H3/b26-15+
InChIKeyFTBWSHIXSBTFRA-CVKSISIWSA-N
MW420.56 g/mol
LogP4.77
Rot. Bonds5

About ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate

ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate (PubChem CID 177044461) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate
PubChem CID177044461
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Nameethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate
SMILESCCOC(=O)/C=N/N=C1N(c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C
InChIInChI=1S/C25H32N4O2/c1-8-31-22(30)15-26-27-25-28(23-18(4)11-16(2)12-19(23)5)9-10-29(25)24-20(6)13-17(3)14-21(24)7/h11-15H,8-10H2,1-7H3/b26-15+
InChIKeyFTBWSHIXSBTFRA-CVKSISIWSA-N
XLogP4.77
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-[(R)-(2,4,6-trimethylphenyl)sulfinyl]iminoacetate
CID 162402165
ethyl 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-4-carboxylate
CID 132511970
ethyl 2-[2-amino-3-(2-bromo-4,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium-1-yl]acetate bromide
CID 87831052
ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane
CID 142157218
ethyl 2-(benzylidenehydrazinylidene)acetate
CID 71441090
ethyl 2-phenyliminoacetate
CID 7095267
2-methoxyethyl 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-4-carboxylate
CID 132511975
ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 169480123
ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
CID 114203645
tert-butyl (2E)-2-[[1,3-bis(2-propan-2-ylphenyl)-1,3-diazepan-2-ylidene]hydrazinylidene]acetate;propane
CID 177044457
ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
CID 134847476
ethyl 3-bis(2,4,6-trimethylbenzoyl)phosphoryl-2-methylprop-2-enoate
CID 123855205

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate?
The IUPAC name of ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate (CID 177044461) is ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate is CCOC(=O)/C=N/N=C1N(c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C.
What is the InChIKey of ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate?
The InChIKey is FTBWSHIXSBTFRA-CVKSISIWSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-8-31-22(30)15-26-27-25-28(23-18(4)11-16(2)12-19(23)5)9-10-29(25)24-20(6)13-17(3)14-21(24)7/h11-15H,8-10H2,1-7H3/b26-15+.
What are the key properties of ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate?
ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate has a molecular weight of 420.56 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate is sourced from PubChem (CID 177044461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).