1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile

C15H8F3N3 — CID 65100751

IUPAC1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
SMILESCn1c(-c2c(F)cc(F)cc2F)nc2cc(C#N)ccc21
InChIInChI=1S/C15H8F3N3/c1-21-13-3-2-8(7-19)4-12(13)20-15(21)14-10(17)5-9(16)6-11(14)18/h2-6H,1H3
InChIKeySYNKQXYYLHHHGM-UHFFFAOYSA-N
MW287.24 g/mol
LogP3.53
Rot. Bonds1

About 1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile

1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile (PubChem CID 65100751) has the molecular formula C15H8F3N3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
PubChem CID65100751
Molecular FormulaC15H8F3N3
Molecular Weight287.24 g/mol
Exact Mass287.07
IUPAC Name1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
SMILESCn1c(-c2c(F)cc(F)cc2F)nc2cc(C#N)ccc21
InChIInChI=1S/C15H8F3N3/c1-21-13-3-2-8(7-19)4-12(13)20-15(21)14-10(17)5-9(16)6-11(14)18/h2-6H,1H3
InChIKeySYNKQXYYLHHHGM-UHFFFAOYSA-N
XLogP3.53
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile (CID 65100751) is 1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile is Cn1c(-c2c(F)cc(F)cc2F)nc2cc(C#N)ccc21.
What is the InChIKey of 1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile?
The InChIKey is SYNKQXYYLHHHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3/c1-21-13-3-2-8(7-19)4-12(13)20-15(21)14-10(17)5-9(16)6-11(14)18/h2-6H,1H3.
What are the key properties of 1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile?
1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile has a molecular weight of 287.24 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 65100751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).