1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one

C11H11FN2O — CID 83857937

IUPAC1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc2ccc(F)cc2n1C
InChIInChI=1S/C11H11FN2O/c1-7(15)5-11-13-9-4-3-8(12)6-10(9)14(11)2/h3-4,6H,5H2,1-2H3
InChIKeyWMDSSNYHWXHJGH-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.84
Rot. Bonds2

About 1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one

1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one (PubChem CID 83857937) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
PubChem CID83857937
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc2ccc(F)cc2n1C
InChIInChI=1S/C11H11FN2O/c1-7(15)5-11-13-9-4-3-8(12)6-10(9)14(11)2/h3-4,6H,5H2,1-2H3
InChIKeyWMDSSNYHWXHJGH-UHFFFAOYSA-N
XLogP1.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one
CID 83857936
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid
CID 62376035
4-(6-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutanoic acid
CID 62934477
1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 62377222
3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119883587
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18734035
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236
2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
CID 83849999
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119883594
N-[2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]ethyl]acetamide
CID 62376522

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one (CID 83857937) is 1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one is CC(=O)Cc1nc2ccc(F)cc2n1C.
What is the InChIKey of 1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one?
The InChIKey is WMDSSNYHWXHJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7(15)5-11-13-9-4-3-8(12)6-10(9)14(11)2/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one?
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one has a molecular weight of 206.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 83857937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).