1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole

C15H10N4O — CID 671760

IUPAC1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole
SMILESO=Nc1c(-c2ccccc2)nc2[nH]c3ccccc3n12
InChIInChI=1S/C15H10N4O/c20-18-14-13(10-6-2-1-3-7-10)17-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,17)
InChIKeyLDVGUHRRBLCBSP-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.88
Rot. Bonds2

About 1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole

1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole (PubChem CID 671760) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole
PubChem CID671760
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole
SMILESO=Nc1c(-c2ccccc2)nc2[nH]c3ccccc3n12
InChIInChI=1S/C15H10N4O/c20-18-14-13(10-6-2-1-3-7-10)17-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,17)
InChIKeyLDVGUHRRBLCBSP-UHFFFAOYSA-N
XLogP3.88
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole?
The IUPAC name of 1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole (CID 671760) is 1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole?
The canonical SMILES for 1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole is O=Nc1c(-c2ccccc2)nc2[nH]c3ccccc3n12.
What is the InChIKey of 1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole?
The InChIKey is LDVGUHRRBLCBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c20-18-14-13(10-6-2-1-3-7-10)17-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,17).
What are the key properties of 1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole?
1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole has a molecular weight of 262.27 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 671760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).