2-(1H-imidazol-5-yl)-3-nitroso-1H-indole

C11H8N4O — CID 122592451

IUPAC2-(1H-imidazol-5-yl)-3-nitroso-1H-indole
SMILESO=Nc1c(-c2cnc[nH]2)[nH]c2ccccc12
InChIInChI=1S/C11H8N4O/c16-15-10-7-3-1-2-4-8(7)14-11(10)9-5-12-6-13-9/h1-6,14H,(H,12,13)
InChIKeyXNXCYLIFEPRVHI-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.96
Rot. Bonds2

About 2-(1H-imidazol-5-yl)-3-nitroso-1H-indole

2-(1H-imidazol-5-yl)-3-nitroso-1H-indole (PubChem CID 122592451) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-3-nitroso-1H-indole.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-3-nitroso-1H-indole
PubChem CID122592451
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name2-(1H-imidazol-5-yl)-3-nitroso-1H-indole
SMILESO=Nc1c(-c2cnc[nH]2)[nH]c2ccccc12
InChIInChI=1S/C11H8N4O/c16-15-10-7-3-1-2-4-8(7)14-11(10)9-5-12-6-13-9/h1-6,14H,(H,12,13)
InChIKeyXNXCYLIFEPRVHI-UHFFFAOYSA-N
XLogP2.96
TPSA73.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-3-nitroso-1H-indole?
The IUPAC name of 2-(1H-imidazol-5-yl)-3-nitroso-1H-indole (CID 122592451) is 2-(1H-imidazol-5-yl)-3-nitroso-1H-indole.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-3-nitroso-1H-indole?
The canonical SMILES for 2-(1H-imidazol-5-yl)-3-nitroso-1H-indole is O=Nc1c(-c2cnc[nH]2)[nH]c2ccccc12.
What is the InChIKey of 2-(1H-imidazol-5-yl)-3-nitroso-1H-indole?
The InChIKey is XNXCYLIFEPRVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-15-10-7-3-1-2-4-8(7)14-11(10)9-5-12-6-13-9/h1-6,14H,(H,12,13).
What are the key properties of 2-(1H-imidazol-5-yl)-3-nitroso-1H-indole?
2-(1H-imidazol-5-yl)-3-nitroso-1H-indole has a molecular weight of 212.21 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-3-nitroso-1H-indole is sourced from PubChem (CID 122592451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).