1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone

C10H9FN2O — CID 123388492

IUPAC1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone
SMILESCC(=O)c1cc(F)c2nc(C)[nH]c2c1
InChIInChI=1S/C10H9FN2O/c1-5(14)7-3-8(11)10-9(4-7)12-6(2)13-10/h3-4H,1-2H3,(H,12,13)
InChIKeyNXXPSELGOUCMJK-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.21
Rot. Bonds1

About 1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone

1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone (PubChem CID 123388492) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone
PubChem CID123388492
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone
SMILESCC(=O)c1cc(F)c2nc(C)[nH]c2c1
InChIInChI=1S/C10H9FN2O/c1-5(14)7-3-8(11)10-9(4-7)12-6(2)13-10/h3-4H,1-2H3,(H,12,13)
InChIKeyNXXPSELGOUCMJK-UHFFFAOYSA-N
XLogP2.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone?
The IUPAC name of 1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone (CID 123388492) is 1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone is CC(=O)c1cc(F)c2nc(C)[nH]c2c1.
What is the InChIKey of 1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone?
The InChIKey is NXXPSELGOUCMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-5(14)7-3-8(11)10-9(4-7)12-6(2)13-10/h3-4H,1-2H3,(H,12,13).
What are the key properties of 1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone?
1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone has a molecular weight of 192.19 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone is sourced from PubChem (CID 123388492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).