3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile

C10H6F3N3 — CID 68973116

IUPAC3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile
SMILESCn1c(C(F)(F)F)nc2ccc(C#N)cc21
InChIInChI=1S/C10H6F3N3/c1-16-8-4-6(5-14)2-3-7(8)15-9(16)10(11,12)13/h2-4H,1H3
InChIKeyLTHSGPGSLDNPPW-UHFFFAOYSA-N
MW225.17 g/mol
LogP2.46
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile

3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile (PubChem CID 68973116) has the molecular formula C10H6F3N3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile
PubChem CID68973116
Molecular FormulaC10H6F3N3
Molecular Weight225.17 g/mol
Exact Mass225.05
IUPAC Name3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile
SMILESCn1c(C(F)(F)F)nc2ccc(C#N)cc21
InChIInChI=1S/C10H6F3N3/c1-16-8-4-6(5-14)2-3-7(8)15-9(16)10(11,12)13/h2-4H,1H3
InChIKeyLTHSGPGSLDNPPW-UHFFFAOYSA-N
XLogP2.46
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile?
The IUPAC name of 3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile (CID 68973116) is 3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile is Cn1c(C(F)(F)F)nc2ccc(C#N)cc21.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile?
The InChIKey is LTHSGPGSLDNPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3/c1-16-8-4-6(5-14)2-3-7(8)15-9(16)10(11,12)13/h2-4H,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile?
3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile has a molecular weight of 225.17 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 68973116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).