1-methyl-2-(trifluoromethyl)benzimidazole

C9H7F3N2 — CID 520903

IUPAC1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C9H7F3N2/c1-14-7-5-3-2-4-6(7)13-8(14)9(10,11)12/h2-5H,1H3
InChIKeyYKKYRNSRLGCTDO-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.59
Rot. Bonds

About 1-methyl-2-(trifluoromethyl)benzimidazole

1-methyl-2-(trifluoromethyl)benzimidazole (PubChem CID 520903) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)benzimidazole
PubChem CID520903
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C9H7F3N2/c1-14-7-5-3-2-4-6(7)13-8(14)9(10,11)12/h2-5H,1H3
InChIKeyYKKYRNSRLGCTDO-UHFFFAOYSA-N
XLogP2.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-methyl-2-(trifluoromethyl)benzimidazole (CID 520903) is 1-methyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)benzimidazole is Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is YKKYRNSRLGCTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c1-14-7-5-3-2-4-6(7)13-8(14)9(10,11)12/h2-5H,1H3.
What are the key properties of 1-methyl-2-(trifluoromethyl)benzimidazole?
1-methyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 200.16 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 520903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).