4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole

C22H16N4O — CID 3113658

IUPAC4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole
SMILESO=Nc1c(-c2ccccc2)nc2n(Cc3ccccc3)c3ccccc3n12
InChIInChI=1S/C22H16N4O/c27-24-21-20(17-11-5-2-6-12-17)23-22-25(15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)26(21)22/h1-14H,15H2
InChIKeyAYRFZKAPNBFRKE-UHFFFAOYSA-N
MW352.40 g/mol
LogP5.40
Rot. Bonds4

About 4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole

4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole (PubChem CID 3113658) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole
PubChem CID3113658
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole
SMILESO=Nc1c(-c2ccccc2)nc2n(Cc3ccccc3)c3ccccc3n12
InChIInChI=1S/C22H16N4O/c27-24-21-20(17-11-5-2-6-12-17)23-22-25(15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)26(21)22/h1-14H,15H2
InChIKeyAYRFZKAPNBFRKE-UHFFFAOYSA-N
XLogP5.40
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole?
The IUPAC name of 4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole (CID 3113658) is 4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole?
The canonical SMILES for 4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole is O=Nc1c(-c2ccccc2)nc2n(Cc3ccccc3)c3ccccc3n12.
What is the InChIKey of 4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole?
The InChIKey is AYRFZKAPNBFRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-24-21-20(17-11-5-2-6-12-17)23-22-25(15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)26(21)22/h1-14H,15H2.
What are the key properties of 4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole?
4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole has a molecular weight of 352.40 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-nitroso-2-phenylimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 3113658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).