1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone

C17H15FN2O — CID 700936

IUPAC1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone
SMILESCc1cc2ncn(C(=O)Cc3ccc(F)cc3)c2cc1C
InChIInChI=1S/C17H15FN2O/c1-11-7-15-16(8-12(11)2)20(10-19-15)17(21)9-13-3-5-14(18)6-4-13/h3-8,10H,9H2,1-2H3
InChIKeyWWQSISNMDPUGAV-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.68
Rot. Bonds2

About 1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone

1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 700936) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone
PubChem CID700936
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone
SMILESCc1cc2ncn(C(=O)Cc3ccc(F)cc3)c2cc1C
InChIInChI=1S/C17H15FN2O/c1-11-7-15-16(8-12(11)2)20(10-19-15)17(21)9-13-3-5-14(18)6-4-13/h3-8,10H,9H2,1-2H3
InChIKeyWWQSISNMDPUGAV-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone (CID 700936) is 1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone is Cc1cc2ncn(C(=O)Cc3ccc(F)cc3)c2cc1C.
What is the InChIKey of 1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is WWQSISNMDPUGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11-7-15-16(8-12(11)2)20(10-19-15)17(21)9-13-3-5-14(18)6-4-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone?
1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 282.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 700936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).