5-amino-1,3,6-trimethylbenzimidazol-2-one

C10H13N3O — CID 6486007

IUPAC5-amino-1,3,6-trimethylbenzimidazol-2-one
SMILESCc1cc2c(cc1N)n(C)c(=O)n2C
InChIInChI=1S/C10H13N3O/c1-6-4-8-9(5-7(6)11)13(3)10(14)12(8)2/h4-5H,11H2,1-3H3
InChIKeyDHPXTEFKFUCWDK-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.77
Rot. Bonds

About 5-amino-1,3,6-trimethylbenzimidazol-2-one

5-amino-1,3,6-trimethylbenzimidazol-2-one (PubChem CID 6486007) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-amino-1,3,6-trimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-amino-1,3,6-trimethylbenzimidazol-2-one
PubChem CID6486007
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-amino-1,3,6-trimethylbenzimidazol-2-one
SMILESCc1cc2c(cc1N)n(C)c(=O)n2C
InChIInChI=1S/C10H13N3O/c1-6-4-8-9(5-7(6)11)13(3)10(14)12(8)2/h4-5H,11H2,1-3H3
InChIKeyDHPXTEFKFUCWDK-UHFFFAOYSA-N
XLogP0.77
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-1,3,6-trimethylbenzimidazol-2-one?
The IUPAC name of 5-amino-1,3,6-trimethylbenzimidazol-2-one (CID 6486007) is 5-amino-1,3,6-trimethylbenzimidazol-2-one.
What is the SMILES notation for 5-amino-1,3,6-trimethylbenzimidazol-2-one?
The canonical SMILES for 5-amino-1,3,6-trimethylbenzimidazol-2-one is Cc1cc2c(cc1N)n(C)c(=O)n2C.
What is the InChIKey of 5-amino-1,3,6-trimethylbenzimidazol-2-one?
The InChIKey is DHPXTEFKFUCWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6-4-8-9(5-7(6)11)13(3)10(14)12(8)2/h4-5H,11H2,1-3H3.
What are the key properties of 5-amino-1,3,6-trimethylbenzimidazol-2-one?
5-amino-1,3,6-trimethylbenzimidazol-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3,6-trimethylbenzimidazol-2-one is sourced from PubChem (CID 6486007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).