4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile

C15H10FN3 — CID 83418617

IUPAC4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile
SMILESCc1nc2ccc(F)cc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C15H10FN3/c1-10-18-14-7-4-12(16)8-15(14)19(10)13-5-2-11(9-17)3-6-13/h2-8H,1H3
InChIKeyHELJQIYSAKTJOT-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.34
Rot. Bonds1

About 4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile

4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile (PubChem CID 83418617) has the molecular formula C15H10FN3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile
PubChem CID83418617
Molecular FormulaC15H10FN3
Molecular Weight251.26 g/mol
Exact Mass251.09
IUPAC Name4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile
SMILESCc1nc2ccc(F)cc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C15H10FN3/c1-10-18-14-7-4-12(16)8-15(14)19(10)13-5-2-11(9-17)3-6-13/h2-8H,1H3
InChIKeyHELJQIYSAKTJOT-UHFFFAOYSA-N
XLogP3.34
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile?
The IUPAC name of 4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile (CID 83418617) is 4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile.
What is the SMILES notation for 4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile?
The canonical SMILES for 4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile is Cc1nc2ccc(F)cc2n1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile?
The InChIKey is HELJQIYSAKTJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3/c1-10-18-14-7-4-12(16)8-15(14)19(10)13-5-2-11(9-17)3-6-13/h2-8H,1H3.
What are the key properties of 4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile?
4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile has a molecular weight of 251.26 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile is sourced from PubChem (CID 83418617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).