6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole

C9H6ClF3N2 — CID 10331616

IUPAC6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2ccc(Cl)cc21
InChIInChI=1S/C9H6ClF3N2/c1-15-7-4-5(10)2-3-6(7)14-8(15)9(11,12)13/h2-4H,1H3
InChIKeyZJGUMZXUUHJRMH-UHFFFAOYSA-N
MW234.61 g/mol
LogP3.25
Rot. Bonds

About 6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole

6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole (PubChem CID 10331616) has the molecular formula C9H6ClF3N2 and a molecular weight of 234.61 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole
PubChem CID10331616
Molecular FormulaC9H6ClF3N2
Molecular Weight234.61 g/mol
Exact Mass234.02
IUPAC Name6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2ccc(Cl)cc21
InChIInChI=1S/C9H6ClF3N2/c1-15-7-4-5(10)2-3-6(7)14-8(15)9(11,12)13/h2-4H,1H3
InChIKeyZJGUMZXUUHJRMH-UHFFFAOYSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole (CID 10331616) is 6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole is Cn1c(C(F)(F)F)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is ZJGUMZXUUHJRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2/c1-15-7-4-5(10)2-3-6(7)14-8(15)9(11,12)13/h2-4H,1H3.
What are the key properties of 6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole?
6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 234.61 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 10331616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).