2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile

C16H12FN3 — CID 65035579

IUPAC2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile
SMILESCc1ccc(-c2nc3cc(C#N)ccc3n2C)cc1F
InChIInChI=1S/C16H12FN3/c1-10-3-5-12(8-13(10)17)16-19-14-7-11(9-18)4-6-15(14)20(16)2/h3-8H,1-2H3
InChIKeyCBHNULUYBJTYRE-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.56
Rot. Bonds1

About 2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile

2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile (PubChem CID 65035579) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile
PubChem CID65035579
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile
SMILESCc1ccc(-c2nc3cc(C#N)ccc3n2C)cc1F
InChIInChI=1S/C16H12FN3/c1-10-3-5-12(8-13(10)17)16-19-14-7-11(9-18)4-6-15(14)20(16)2/h3-8H,1-2H3
InChIKeyCBHNULUYBJTYRE-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile (CID 65035579) is 2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile is Cc1ccc(-c2nc3cc(C#N)ccc3n2C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile?
The InChIKey is CBHNULUYBJTYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3/c1-10-3-5-12(8-13(10)17)16-19-14-7-11(9-18)4-6-15(14)20(16)2/h3-8H,1-2H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile?
2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile has a molecular weight of 265.29 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65035579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).