methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate

C19H18N2O3 — CID 177406805

IUPACmethyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate
SMILESCOC(=O)N1C=NC(Cc2ccccc2)(Cc2ccccc2)C1=O
InChIInChI=1S/C19H18N2O3/c1-24-18(23)21-14-20-19(17(21)22,12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyYQUADXDOODKEEQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.85
Rot. Bonds4

About methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate

methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate (PubChem CID 177406805) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate
PubChem CID177406805
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate
SMILESCOC(=O)N1C=NC(Cc2ccccc2)(Cc2ccccc2)C1=O
InChIInChI=1S/C19H18N2O3/c1-24-18(23)21-14-20-19(17(21)22,12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyYQUADXDOODKEEQ-UHFFFAOYSA-N
XLogP2.85
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate?
The IUPAC name of methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate (CID 177406805) is methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate.
What is the SMILES notation for methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate?
The canonical SMILES for methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate is COC(=O)N1C=NC(Cc2ccccc2)(Cc2ccccc2)C1=O.
What is the InChIKey of methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate?
The InChIKey is YQUADXDOODKEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-24-18(23)21-14-20-19(17(21)22,12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3.
What are the key properties of methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate?
methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate is sourced from PubChem (CID 177406805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).