ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate

C19H18N2O3 — CID 10426272

IUPACethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate
SMILESCCOC(=O)n1cc(-c2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H18N2O3/c1-2-24-19(23)21-14-17(16-11-7-4-8-12-16)20(18(21)22)13-15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
InChIKeyKSJKAVUEOGWEFC-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.37
Rot. Bonds4

About ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate

ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate (PubChem CID 10426272) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate
PubChem CID10426272
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate
SMILESCCOC(=O)n1cc(-c2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H18N2O3/c1-2-24-19(23)21-14-17(16-11-7-4-8-12-16)20(18(21)22)13-15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
InChIKeyKSJKAVUEOGWEFC-UHFFFAOYSA-N
XLogP3.37
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 1-benzyl-3,4-diphenylpyrrole-2-carboxylate
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ethyl 4-[1-[(4-fluorophenyl)methyl]-5-phenylpyrrol-2-yl]-2,4-dioxobutanoate
CID 20696851
ethyl 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
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ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate?
The IUPAC name of ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate (CID 10426272) is ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate?
The canonical SMILES for ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate is CCOC(=O)n1cc(-c2ccccc2)n(Cc2ccccc2)c1=O.
What is the InChIKey of ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate?
The InChIKey is KSJKAVUEOGWEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-24-19(23)21-14-17(16-11-7-4-8-12-16)20(18(21)22)13-15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3.
What are the key properties of ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate?
ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate is sourced from PubChem (CID 10426272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).