ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate

C18H24N4O4 — CID 59517463

IUPACethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1c(NNC(=O)OC(C)(C)C)ncn1Cc1ccccc1
InChIInChI=1S/C18H24N4O4/c1-5-25-16(23)14-15(20-21-17(24)26-18(2,3)4)19-12-22(14)11-13-9-7-6-8-10-13/h6-10,12,20H,5,11H2,1-4H3,(H,21,24)
InChIKeyWGZSPDXAEJAWEM-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.96
Rot. Bonds6

About ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate

ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate (PubChem CID 59517463) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate
PubChem CID59517463
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Nameethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1c(NNC(=O)OC(C)(C)C)ncn1Cc1ccccc1
InChIInChI=1S/C18H24N4O4/c1-5-25-16(23)14-15(20-21-17(24)26-18(2,3)4)19-12-22(14)11-13-9-7-6-8-10-13/h6-10,12,20H,5,11H2,1-4H3,(H,21,24)
InChIKeyWGZSPDXAEJAWEM-UHFFFAOYSA-N
XLogP2.96
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate
CID 71144248
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2-phenylmethoxyethyl)pyrazole-3-carboxylate
CID 162349443
ethyl 4-benzyl-1,2,4-triazole-3-carboxylate
CID 172839532
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554
ethyl 5-acetamido-3-phenylimidazole-4-carboxylate
CID 12955184
ethyl 1-benzyl-3,4-diphenylpyrrole-2-carboxylate
CID 10915918
ethyl 3-benzyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate
CID 118048152
3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide
CID 18360225
ethyl 1-benzyl-3-cyanopyrrole-2-carboxylate
CID 71403790
(2S)-2-[(4R)-1,3-dibenzyl-5-ethoxycarbonyl-6-methyl-2-oxo-4H-pyrimidin-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11763238
3-benzyl-5-ethylimidazole-4-carboxylic acid
CID 130117883
tert-butyl N-[2-(9-benzylpurin-6-yl)phenyl]carbamate
CID 134847294

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate (CID 59517463) is ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate is CCOC(=O)c1c(NNC(=O)OC(C)(C)C)ncn1Cc1ccccc1.
What is the InChIKey of ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate?
The InChIKey is WGZSPDXAEJAWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-5-25-16(23)14-15(20-21-17(24)26-18(2,3)4)19-12-22(14)11-13-9-7-6-8-10-13/h6-10,12,20H,5,11H2,1-4H3,(H,21,24).
What are the key properties of ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate?
ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate is sourced from PubChem (CID 59517463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).