5-methyl-2-phenyl-1H-imidazole-4-carboxylate

C11H9N2O2- — CID 40507391

IUPAC5-methyl-2-phenyl-1H-imidazole-4-carboxylate
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)[O-]
InChIInChI=1S/C11H10N2O2/c1-7-9(11(14)15)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)/p-1
InChIKeyNEDPOZZCAYIDNP-UHFFFAOYSA-M
MW201.21 g/mol
LogP0.75
Rot. Bonds2

About 5-methyl-2-phenyl-1H-imidazole-4-carboxylate

5-methyl-2-phenyl-1H-imidazole-4-carboxylate (PubChem CID 40507391) has the molecular formula C11H9N2O2- and a molecular weight of 201.21 g/mol. Its IUPAC name is 5-methyl-2-phenyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Name5-methyl-2-phenyl-1H-imidazole-4-carboxylate
PubChem CID40507391
Molecular FormulaC11H9N2O2-
Molecular Weight201.21 g/mol
Exact Mass201.07
IUPAC Name5-methyl-2-phenyl-1H-imidazole-4-carboxylate
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)[O-]
InChIInChI=1S/C11H10N2O2/c1-7-9(11(14)15)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)/p-1
InChIKeyNEDPOZZCAYIDNP-UHFFFAOYSA-M
XLogP0.75
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
The IUPAC name of 5-methyl-2-phenyl-1H-imidazole-4-carboxylate (CID 40507391) is 5-methyl-2-phenyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
The canonical SMILES for 5-methyl-2-phenyl-1H-imidazole-4-carboxylate is Cc1[nH]c(-c2ccccc2)nc1C(=O)[O-].
What is the InChIKey of 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
The InChIKey is NEDPOZZCAYIDNP-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N2O2/c1-7-9(11(14)15)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)/p-1.
What are the key properties of 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
5-methyl-2-phenyl-1H-imidazole-4-carboxylate has a molecular weight of 201.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 40507391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).