ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate

C20H21N3O4 — CID 24985949

IUPACethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-n2ccc(OCc3ccccc3)cc2=O)n1C
InChIInChI=1S/C20H21N3O4/c1-4-26-19(25)18-14(2)21-20(22(18)3)23-11-10-16(12-17(23)24)27-13-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3
InChIKeyDUQSSRQANJUTIZ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.64
Rot. Bonds6

About ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate

ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate (PubChem CID 24985949) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate
PubChem CID24985949
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Nameethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-n2ccc(OCc3ccccc3)cc2=O)n1C
InChIInChI=1S/C20H21N3O4/c1-4-26-19(25)18-14(2)21-20(22(18)3)23-11-10-16(12-17(23)24)27-13-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3
InChIKeyDUQSSRQANJUTIZ-UHFFFAOYSA-N
XLogP2.64
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
1-(1-methylindazol-5-yl)-4-phenylmethoxypyridin-2-one
CID 143723289
ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate
CID 69084633
N-benzyl-5-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1H-imidazole-4-carboxamide
CID 24985616
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
CID 143591111
diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232497
1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
ethyl 4-hydroxy-2-(2-methylpropyl)-1-oxo-7-phenylmethoxyisoquinoline-3-carboxylate
CID 54725281
ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571
4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
CID 24780169

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate (CID 24985949) is ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate is CCOC(=O)c1c(C)nc(-n2ccc(OCc3ccccc3)cc2=O)n1C.
What is the InChIKey of ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate?
The InChIKey is DUQSSRQANJUTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-26-19(25)18-14(2)21-20(22(18)3)23-11-10-16(12-17(23)24)27-13-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3.
What are the key properties of ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate?
ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate is sourced from PubChem (CID 24985949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).