1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone

C10H10FN3O — CID 89387906

IUPAC1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1cc2c(ncn2C)c(F)c1N
InChIInChI=1S/C10H10FN3O/c1-5(15)6-3-7-10(8(11)9(6)12)13-4-14(7)2/h3-4H,12H2,1-2H3
InChIKeyUQSFWWFLEBZXFT-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.50
Rot. Bonds1

About 1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone

1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone (PubChem CID 89387906) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone
PubChem CID89387906
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1cc2c(ncn2C)c(F)c1N
InChIInChI=1S/C10H10FN3O/c1-5(15)6-3-7-10(8(11)9(6)12)13-4-14(7)2/h3-4H,12H2,1-2H3
InChIKeyUQSFWWFLEBZXFT-UHFFFAOYSA-N
XLogP1.50
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.50
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 1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone (CID 89387906) is 1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone is CC(=O)c1cc2c(ncn2C)c(F)c1N.
What is the InChIKey of 1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone?
The InChIKey is UQSFWWFLEBZXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-5(15)6-3-7-10(8(11)9(6)12)13-4-14(7)2/h3-4H,12H2,1-2H3.
What are the key properties of 1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone?
1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone has a molecular weight of 207.21 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 89387906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).