4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole

C10H9F3N2O — CID 18316636

IUPAC4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCOc1cccc2c1nc(C(F)(F)F)n2C
InChIInChI=1S/C10H9F3N2O/c1-15-6-4-3-5-7(16-2)8(6)14-9(15)10(11,12)13/h3-5H,1-2H3
InChIKeyPVJIKYOICPVACV-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.60
Rot. Bonds1

About 4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole

4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole (PubChem CID 18316636) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
PubChem CID18316636
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCOc1cccc2c1nc(C(F)(F)F)n2C
InChIInChI=1S/C10H9F3N2O/c1-15-6-4-3-5-7(16-2)8(6)14-9(15)10(11,12)13/h3-5H,1-2H3
InChIKeyPVJIKYOICPVACV-UHFFFAOYSA-N
XLogP2.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole (CID 18316636) is 4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole is COc1cccc2c1nc(C(F)(F)F)n2C.
What is the InChIKey of 4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is PVJIKYOICPVACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-15-6-4-3-5-7(16-2)8(6)14-9(15)10(11,12)13/h3-5H,1-2H3.
What are the key properties of 4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole?
4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 230.19 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 18316636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).