5-nitroso-2-phenyl-1H-imidazole

C9H7N3O — CID 87555999

IUPAC5-nitroso-2-phenyl-1H-imidazole
SMILESO=Nc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C9H7N3O/c13-12-8-6-10-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKeyLULVZJCFTRVBRP-UHFFFAOYSA-N
MW173.18 g/mol
LogP2.47
Rot. Bonds2

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

5-nitroso-2-phenyl-1H-imidazole (PubChem CID 87555999) has the molecular formula C9H7N3O and a molecular weight of 173.18 g/mol. Its IUPAC name is 5-nitroso-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-nitroso-2-phenyl-1H-imidazole
PubChem CID87555999
Molecular FormulaC9H7N3O
Molecular Weight173.18 g/mol
Exact Mass173.06
IUPAC Name5-nitroso-2-phenyl-1H-imidazole
SMILESO=Nc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C9H7N3O/c13-12-8-6-10-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKeyLULVZJCFTRVBRP-UHFFFAOYSA-N
XLogP2.47
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-nitroso-2-phenyl-1H-imidazole?
The IUPAC name of 5-nitroso-2-phenyl-1H-imidazole (CID 87555999) is 5-nitroso-2-phenyl-1H-imidazole.
What is the SMILES notation for 5-nitroso-2-phenyl-1H-imidazole?
The canonical SMILES for 5-nitroso-2-phenyl-1H-imidazole is O=Nc1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 5-nitroso-2-phenyl-1H-imidazole?
The InChIKey is LULVZJCFTRVBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c13-12-8-6-10-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,10,11).
What are the key properties of 5-nitroso-2-phenyl-1H-imidazole?
5-nitroso-2-phenyl-1H-imidazole has a molecular weight of 173.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-2-phenyl-1H-imidazole is sourced from PubChem (CID 87555999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).