1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole

C14H11N3O3 — CID 88905072

IUPAC1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole
SMILESCOc1ccccc1-c1nc2ccc(N=O)cc2n1O
InChIInChI=1S/C14H11N3O3/c1-20-13-5-3-2-4-10(13)14-15-11-7-6-9(16-18)8-12(11)17(14)19/h2-8,19H,1H3
InChIKeyITNNGIHZRHCOLB-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.35
Rot. Bonds3

About 1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole

1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole (PubChem CID 88905072) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole.

Molecular Properties

Compound Name1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole
PubChem CID88905072
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole
SMILESCOc1ccccc1-c1nc2ccc(N=O)cc2n1O
InChIInChI=1S/C14H11N3O3/c1-20-13-5-3-2-4-10(13)14-15-11-7-6-9(16-18)8-12(11)17(14)19/h2-8,19H,1H3
InChIKeyITNNGIHZRHCOLB-UHFFFAOYSA-N
XLogP3.35
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole?
The IUPAC name of 1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole (CID 88905072) is 1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole.
What is the SMILES notation for 1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole?
The canonical SMILES for 1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole is COc1ccccc1-c1nc2ccc(N=O)cc2n1O.
What is the InChIKey of 1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole?
The InChIKey is ITNNGIHZRHCOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-13-5-3-2-4-10(13)14-15-11-7-6-9(16-18)8-12(11)17(14)19/h2-8,19H,1H3.
What are the key properties of 1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole?
1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole has a molecular weight of 269.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(2-methoxyphenyl)-6-nitrosobenzimidazole is sourced from PubChem (CID 88905072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).