phenyl imidazole-1-carboximidate

C10H9N3O — CID 15497945

IUPACphenyl imidazole-1-carboximidate
SMILES[H]/N=C(/Oc1ccccc1)n1ccnc1
InChIInChI=1S/C10H9N3O/c11-10(13-7-6-12-8-13)14-9-4-2-1-3-5-9/h1-8,11H/b11-10+
InChIKeyHKLZLKLGEKECTD-ZHACJKMWSA-N
MW187.20 g/mol
LogP1.74
Rot. Bonds1

About phenyl imidazole-1-carboximidate

phenyl imidazole-1-carboximidate (PubChem CID 15497945) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is phenyl imidazole-1-carboximidate.

Molecular Properties

Compound Namephenyl imidazole-1-carboximidate
PubChem CID15497945
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Namephenyl imidazole-1-carboximidate
SMILES[H]/N=C(/Oc1ccccc1)n1ccnc1
InChIInChI=1S/C10H9N3O/c11-10(13-7-6-12-8-13)14-9-4-2-1-3-5-9/h1-8,11H/b11-10+
InChIKeyHKLZLKLGEKECTD-ZHACJKMWSA-N
XLogP1.74
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl imidazole-1-carboximidate?
The IUPAC name of phenyl imidazole-1-carboximidate (CID 15497945) is phenyl imidazole-1-carboximidate.
What is the SMILES notation for phenyl imidazole-1-carboximidate?
The canonical SMILES for phenyl imidazole-1-carboximidate is [H]/N=C(/Oc1ccccc1)n1ccnc1.
What is the InChIKey of phenyl imidazole-1-carboximidate?
The InChIKey is HKLZLKLGEKECTD-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H9N3O/c11-10(13-7-6-12-8-13)14-9-4-2-1-3-5-9/h1-8,11H/b11-10+.
What are the key properties of phenyl imidazole-1-carboximidate?
phenyl imidazole-1-carboximidate has a molecular weight of 187.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl imidazole-1-carboximidate is sourced from PubChem (CID 15497945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).