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

C9H10FN3O — CID 118091869

IUPAC5-amino-6-fluoro-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(F)c(N)cc21
InChIInChI=1S/C9H10FN3O/c1-12-7-3-5(10)6(11)4-8(7)13(2)9(12)14/h3-4H,11H2,1-2H3
InChIKeyYYWIVQHWEJGGMV-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.60
Rot. Bonds

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

5-amino-6-fluoro-1,3-dimethylbenzimidazol-2-one (PubChem CID 118091869) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is 5-amino-6-fluoro-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-amino-6-fluoro-1,3-dimethylbenzimidazol-2-one
PubChem CID118091869
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name5-amino-6-fluoro-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(F)c(N)cc21
InChIInChI=1S/C9H10FN3O/c1-12-7-3-5(10)6(11)4-8(7)13(2)9(12)14/h3-4H,11H2,1-2H3
InChIKeyYYWIVQHWEJGGMV-UHFFFAOYSA-N
XLogP0.60
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.60
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-6-fluoro-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-amino-6-fluoro-1,3-dimethylbenzimidazol-2-one (CID 118091869) is 5-amino-6-fluoro-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-amino-6-fluoro-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-amino-6-fluoro-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(F)c(N)cc21.
What is the InChIKey of 5-amino-6-fluoro-1,3-dimethylbenzimidazol-2-one?
The InChIKey is YYWIVQHWEJGGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O/c1-12-7-3-5(10)6(11)4-8(7)13(2)9(12)14/h3-4H,11H2,1-2H3.
What are the key properties of 5-amino-6-fluoro-1,3-dimethylbenzimidazol-2-one?
5-amino-6-fluoro-1,3-dimethylbenzimidazol-2-one has a molecular weight of 195.20 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-fluoro-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 118091869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).