5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one

C10H13N3O2 — CID 6486622

IUPAC5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one
SMILESCOc1cc2c(cc1N)n(C)c(=O)n2C
InChIInChI=1S/C10H13N3O2/c1-12-7-4-6(11)9(15-3)5-8(7)13(2)10(12)14/h4-5H,11H2,1-3H3
InChIKeyFUANRVOPAVWOIK-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.47
Rot. Bonds1

About 5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one

5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one (PubChem CID 6486622) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one
PubChem CID6486622
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one
SMILESCOc1cc2c(cc1N)n(C)c(=O)n2C
InChIInChI=1S/C10H13N3O2/c1-12-7-4-6(11)9(15-3)5-8(7)13(2)10(12)14/h4-5H,11H2,1-3H3
InChIKeyFUANRVOPAVWOIK-UHFFFAOYSA-N
XLogP0.47
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one (CID 6486622) is 5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one is COc1cc2c(cc1N)n(C)c(=O)n2C.
What is the InChIKey of 5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one?
The InChIKey is FUANRVOPAVWOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-12-7-4-6(11)9(15-3)5-8(7)13(2)10(12)14/h4-5H,11H2,1-3H3.
What are the key properties of 5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one?
5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methoxy-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 6486622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).