7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole

C13H15F3N2O — CID 163275937

IUPAC7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole
SMILESCOc1cccc2nc(C)n(CCCC(F)(F)F)c12
InChIInChI=1S/C13H15F3N2O/c1-9-17-10-5-3-6-11(19-2)12(10)18(9)8-4-7-13(14,15)16/h3,5-6H,4,7-8H2,1-2H3
InChIKeyRQDNDAQBSCLFRA-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.70
Rot. Bonds4

About 7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole

7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole (PubChem CID 163275937) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole.

Molecular Properties

Compound Name7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole
PubChem CID163275937
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole
SMILESCOc1cccc2nc(C)n(CCCC(F)(F)F)c12
InChIInChI=1S/C13H15F3N2O/c1-9-17-10-5-3-6-11(19-2)12(10)18(9)8-4-7-13(14,15)16/h3,5-6H,4,7-8H2,1-2H3
InChIKeyRQDNDAQBSCLFRA-UHFFFAOYSA-N
XLogP3.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole?
The IUPAC name of 7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole (CID 163275937) is 7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole.
What is the SMILES notation for 7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole?
The canonical SMILES for 7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole is COc1cccc2nc(C)n(CCCC(F)(F)F)c12.
What is the InChIKey of 7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole?
The InChIKey is RQDNDAQBSCLFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-9-17-10-5-3-6-11(19-2)12(10)18(9)8-4-7-13(14,15)16/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole?
7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole has a molecular weight of 272.27 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole is sourced from PubChem (CID 163275937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).