6-methyl-1-oxidobenzimidazol-5-amine

C8H8N3O- — CID 87956267

IUPAC6-methyl-1-oxidobenzimidazol-5-amine
SMILESCc1cc2c(cc1N)ncn2[O-]
InChIInChI=1S/C8H8N3O/c1-5-2-8-7(3-6(5)9)10-4-11(8)12/h2-4H,9H2,1H3/q-1
InChIKeyFSVUCPNYJGJYEA-UHFFFAOYSA-N
MW162.17 g/mol
LogP1.27
Rot. Bonds

About 6-methyl-1-oxidobenzimidazol-5-amine

6-methyl-1-oxidobenzimidazol-5-amine (PubChem CID 87956267) has the molecular formula C8H8N3O- and a molecular weight of 162.17 g/mol. Its IUPAC name is 6-methyl-1-oxidobenzimidazol-5-amine.

Molecular Properties

Compound Name6-methyl-1-oxidobenzimidazol-5-amine
PubChem CID87956267
Molecular FormulaC8H8N3O-
Molecular Weight162.17 g/mol
Exact Mass162.07
IUPAC Name6-methyl-1-oxidobenzimidazol-5-amine
SMILESCc1cc2c(cc1N)ncn2[O-]
InChIInChI=1S/C8H8N3O/c1-5-2-8-7(3-6(5)9)10-4-11(8)12/h2-4H,9H2,1H3/q-1
InChIKeyFSVUCPNYJGJYEA-UHFFFAOYSA-N
XLogP1.27
TPSA66.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-oxidobenzimidazol-5-amine?
The IUPAC name of 6-methyl-1-oxidobenzimidazol-5-amine (CID 87956267) is 6-methyl-1-oxidobenzimidazol-5-amine.
What is the SMILES notation for 6-methyl-1-oxidobenzimidazol-5-amine?
The canonical SMILES for 6-methyl-1-oxidobenzimidazol-5-amine is Cc1cc2c(cc1N)ncn2[O-].
What is the InChIKey of 6-methyl-1-oxidobenzimidazol-5-amine?
The InChIKey is FSVUCPNYJGJYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3O/c1-5-2-8-7(3-6(5)9)10-4-11(8)12/h2-4H,9H2,1H3/q-1.
What are the key properties of 6-methyl-1-oxidobenzimidazol-5-amine?
6-methyl-1-oxidobenzimidazol-5-amine has a molecular weight of 162.17 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-oxidobenzimidazol-5-amine is sourced from PubChem (CID 87956267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).