ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate

C24H26N2O4 — CID 144673461

IUPACethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2OC)n(C(C)C)c1C(=O)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O4/c1-6-30-24(28)20-21(22(27)17-13-11-16(4)12-14-17)26(15(2)3)23(25-20)18-9-7-8-10-19(18)29-5/h7-15H,6H2,1-5H3
InChIKeyCNXXWVBRRPTRSR-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.86
Rot. Bonds7

About ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate

ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate (PubChem CID 144673461) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate
PubChem CID144673461
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Nameethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2OC)n(C(C)C)c1C(=O)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O4/c1-6-30-24(28)20-21(22(27)17-13-11-16(4)12-14-17)26(15(2)3)23(25-20)18-9-7-8-10-19(18)29-5/h7-15H,6H2,1-5H3
InChIKeyCNXXWVBRRPTRSR-UHFFFAOYSA-N
XLogP4.86
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(4-chloro-2-hydroxyphenyl)-methylsulfanyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate
CID 138657450
ethyl 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 10108596
ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate
CID 11537595
ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035686
2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one
CID 78278793
methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate
CID 144673457
ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 10971097
ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate
CID 159266373
5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 113366285
2-ethyl-5-(2-methoxyphenyl)-3-propan-2-ylimidazol-4-amine
CID 62220440
ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
CID 139229097
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate (CID 144673461) is ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2OC)n(C(C)C)c1C(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate?
The InChIKey is CNXXWVBRRPTRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-6-30-24(28)20-21(22(27)17-13-11-16(4)12-14-17)26(15(2)3)23(25-20)18-9-7-8-10-19(18)29-5/h7-15H,6H2,1-5H3.
What are the key properties of ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate?
ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate has a molecular weight of 406.48 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate is sourced from PubChem (CID 144673461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).