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

C10H7N2O2- — CID 6933354

IUPAC2-phenyl-1H-imidazole-5-carboxylate
SMILESO=C([O-])c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)/p-1
InChIKeyXCAXKZJNJCKTQH-UHFFFAOYSA-M
MW187.18 g/mol
LogP0.44
Rot. Bonds2

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

2-phenyl-1H-imidazole-5-carboxylate (PubChem CID 6933354) has the molecular formula C10H7N2O2- and a molecular weight of 187.18 g/mol. Its IUPAC name is 2-phenyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Name2-phenyl-1H-imidazole-5-carboxylate
PubChem CID6933354
Molecular FormulaC10H7N2O2-
Molecular Weight187.18 g/mol
Exact Mass187.05
IUPAC Name2-phenyl-1H-imidazole-5-carboxylate
SMILESO=C([O-])c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)/p-1
InChIKeyXCAXKZJNJCKTQH-UHFFFAOYSA-M
XLogP0.44
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-imidazole-5-carboxylate?
The IUPAC name of 2-phenyl-1H-imidazole-5-carboxylate (CID 6933354) is 2-phenyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for 2-phenyl-1H-imidazole-5-carboxylate?
The canonical SMILES for 2-phenyl-1H-imidazole-5-carboxylate is O=C([O-])c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-phenyl-1H-imidazole-5-carboxylate?
The InChIKey is XCAXKZJNJCKTQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)/p-1.
What are the key properties of 2-phenyl-1H-imidazole-5-carboxylate?
2-phenyl-1H-imidazole-5-carboxylate has a molecular weight of 187.18 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 6933354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).