5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile

C12H11FN4 — CID 107936587

IUPAC5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile
SMILESCc1nc(-c2ccc(F)c(C#N)c2)c(N)n1C
InChIInChI=1S/C12H11FN4/c1-7-16-11(12(15)17(7)2)8-3-4-10(13)9(5-8)6-14/h3-5H,15H2,1-2H3
InChIKeyQARHPWZIYPRXQV-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.99
Rot. Bonds1

About 5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile

5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile (PubChem CID 107936587) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is 5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile
PubChem CID107936587
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile
SMILESCc1nc(-c2ccc(F)c(C#N)c2)c(N)n1C
InChIInChI=1S/C12H11FN4/c1-7-16-11(12(15)17(7)2)8-3-4-10(13)9(5-8)6-14/h3-5H,15H2,1-2H3
InChIKeyQARHPWZIYPRXQV-UHFFFAOYSA-N
XLogP1.99
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile?
The IUPAC name of 5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile (CID 107936587) is 5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile?
The canonical SMILES for 5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile is Cc1nc(-c2ccc(F)c(C#N)c2)c(N)n1C.
What is the InChIKey of 5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile?
The InChIKey is QARHPWZIYPRXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c1-7-16-11(12(15)17(7)2)8-3-4-10(13)9(5-8)6-14/h3-5H,15H2,1-2H3.
What are the key properties of 5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile?
5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile has a molecular weight of 230.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile is sourced from PubChem (CID 107936587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).