5-methoxy-1-oxidobenzimidazole

C8H7N2O2- — CID 87206335

IUPAC5-methoxy-1-oxidobenzimidazole
SMILESCOc1ccc2c(c1)ncn2[O-]
InChIInChI=1S/C8H7N2O2/c1-12-6-2-3-8-7(4-6)9-5-10(8)11/h2-5H,1H3/q-1
InChIKeyRJLRSYUGPHXIIJ-UHFFFAOYSA-N
MW163.16 g/mol
LogP1.39
Rot. Bonds1

About 5-methoxy-1-oxidobenzimidazole

5-methoxy-1-oxidobenzimidazole (PubChem CID 87206335) has the molecular formula C8H7N2O2- and a molecular weight of 163.16 g/mol. Its IUPAC name is 5-methoxy-1-oxidobenzimidazole.

Molecular Properties

Compound Name5-methoxy-1-oxidobenzimidazole
PubChem CID87206335
Molecular FormulaC8H7N2O2-
Molecular Weight163.16 g/mol
Exact Mass163.05
IUPAC Name5-methoxy-1-oxidobenzimidazole
SMILESCOc1ccc2c(c1)ncn2[O-]
InChIInChI=1S/C8H7N2O2/c1-12-6-2-3-8-7(4-6)9-5-10(8)11/h2-5H,1H3/q-1
InChIKeyRJLRSYUGPHXIIJ-UHFFFAOYSA-N
XLogP1.39
TPSA50.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-methoxybenzimidazole
CID 10900689
4,7-dimethoxyquinoline
CID 20743716
N-[4-(5-methoxybenzimidazol-1-yl)phenyl]formamide
CID 86676154
[1-hydroxy-2-(5-methoxybenzimidazol-1-yl)-1-phosphonoethyl]phosphonic acid
CID 135228118
1-tert-butyl-6-methoxybenzimidazole
CID 21460432
(1-methylbenzimidazol-5-yl) 2-(4-methoxyphenyl)acetate
CID 90538160
1-[(2,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 63362760
1-(4-methoxyphenyl)benzimidazol-5-amine
CID 783122
4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide
CID 110728593
5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84794552
6-methoxy-1-phenylbenzimidazole
CID 652633
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-oxidobenzimidazole?
The IUPAC name of 5-methoxy-1-oxidobenzimidazole (CID 87206335) is 5-methoxy-1-oxidobenzimidazole.
What is the SMILES notation for 5-methoxy-1-oxidobenzimidazole?
The canonical SMILES for 5-methoxy-1-oxidobenzimidazole is COc1ccc2c(c1)ncn2[O-].
What is the InChIKey of 5-methoxy-1-oxidobenzimidazole?
The InChIKey is RJLRSYUGPHXIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2O2/c1-12-6-2-3-8-7(4-6)9-5-10(8)11/h2-5H,1H3/q-1.
What are the key properties of 5-methoxy-1-oxidobenzimidazole?
5-methoxy-1-oxidobenzimidazole has a molecular weight of 163.16 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-oxidobenzimidazole is sourced from PubChem (CID 87206335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).