methyl 1,5-diphenylimidazole-4-carboxylate

C17H14N2O2 — CID 14644629

IUPACmethyl 1,5-diphenylimidazole-4-carboxylate
SMILESCOC(=O)c1ncn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-21-17(20)15-16(13-8-4-2-5-9-13)19(12-18-15)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyZUEKXGLGUCQBPE-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.33
Rot. Bonds3

About methyl 1,5-diphenylimidazole-4-carboxylate

methyl 1,5-diphenylimidazole-4-carboxylate (PubChem CID 14644629) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 1,5-diphenylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-diphenylimidazole-4-carboxylate
PubChem CID14644629
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Namemethyl 1,5-diphenylimidazole-4-carboxylate
SMILESCOC(=O)c1ncn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-21-17(20)15-16(13-8-4-2-5-9-13)19(12-18-15)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyZUEKXGLGUCQBPE-UHFFFAOYSA-N
XLogP3.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,5-diphenylimidazole-4-carboxylate?
The IUPAC name of methyl 1,5-diphenylimidazole-4-carboxylate (CID 14644629) is methyl 1,5-diphenylimidazole-4-carboxylate.
What is the SMILES notation for methyl 1,5-diphenylimidazole-4-carboxylate?
The canonical SMILES for methyl 1,5-diphenylimidazole-4-carboxylate is COC(=O)c1ncn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of methyl 1,5-diphenylimidazole-4-carboxylate?
The InChIKey is ZUEKXGLGUCQBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-17(20)15-16(13-8-4-2-5-9-13)19(12-18-15)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of methyl 1,5-diphenylimidazole-4-carboxylate?
methyl 1,5-diphenylimidazole-4-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-diphenylimidazole-4-carboxylate is sourced from PubChem (CID 14644629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).