5-amino-6-methylbenzimidazol-2-one

C8H7N3O — CID 18704058

IUPAC5-amino-6-methylbenzimidazol-2-one
SMILESCc1cc2c(cc1N)=NC(=O)N=2
InChIInChI=1S/C8H7N3O/c1-4-2-6-7(3-5(4)9)11-8(12)10-6/h2-3H,9H2,1H3
InChIKeyMEVPRMYSNBGYJU-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.05
Rot. Bonds

About 5-amino-6-methylbenzimidazol-2-one

5-amino-6-methylbenzimidazol-2-one (PubChem CID 18704058) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-amino-6-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-amino-6-methylbenzimidazol-2-one
PubChem CID18704058
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-amino-6-methylbenzimidazol-2-one
SMILESCc1cc2c(cc1N)=NC(=O)N=2
InChIInChI=1S/C8H7N3O/c1-4-2-6-7(3-5(4)9)11-8(12)10-6/h2-3H,9H2,1H3
InChIKeyMEVPRMYSNBGYJU-UHFFFAOYSA-N
XLogP-0.05
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methylbenzimidazol-2-one?
The IUPAC name of 5-amino-6-methylbenzimidazol-2-one (CID 18704058) is 5-amino-6-methylbenzimidazol-2-one.
What is the SMILES notation for 5-amino-6-methylbenzimidazol-2-one?
The canonical SMILES for 5-amino-6-methylbenzimidazol-2-one is Cc1cc2c(cc1N)=NC(=O)N=2.
What is the InChIKey of 5-amino-6-methylbenzimidazol-2-one?
The InChIKey is MEVPRMYSNBGYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-4-2-6-7(3-5(4)9)11-8(12)10-6/h2-3H,9H2,1H3.
What are the key properties of 5-amino-6-methylbenzimidazol-2-one?
5-amino-6-methylbenzimidazol-2-one has a molecular weight of 161.16 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methylbenzimidazol-2-one is sourced from PubChem (CID 18704058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).