2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile

C16H12FN3 — CID 63667851

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile
SMILESCc1cc2ncn(-c3ccc(F)cc3C#N)c2cc1C
InChIInChI=1S/C16H12FN3/c1-10-5-14-16(6-11(10)2)20(9-19-14)15-4-3-13(17)7-12(15)8-18/h3-7,9H,1-2H3
InChIKeyRXCXJSAOQKLJEJ-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.65
Rot. Bonds1

About 2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile

2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile (PubChem CID 63667851) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile
PubChem CID63667851
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile
SMILESCc1cc2ncn(-c3ccc(F)cc3C#N)c2cc1C
InChIInChI=1S/C16H12FN3/c1-10-5-14-16(6-11(10)2)20(9-19-14)15-4-3-13(17)7-12(15)8-18/h3-7,9H,1-2H3
InChIKeyRXCXJSAOQKLJEJ-UHFFFAOYSA-N
XLogP3.65
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile (CID 63667851) is 2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile is Cc1cc2ncn(-c3ccc(F)cc3C#N)c2cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile?
The InChIKey is RXCXJSAOQKLJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3/c1-10-5-14-16(6-11(10)2)20(9-19-14)15-4-3-13(17)7-12(15)8-18/h3-7,9H,1-2H3.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile?
2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile has a molecular weight of 265.29 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile is sourced from PubChem (CID 63667851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).