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

C12H13F3N2O — CID 18316637

IUPAC4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole
SMILESCCCn1c(C(F)(F)F)nc2c(OC)cccc21
InChIInChI=1S/C12H13F3N2O/c1-3-7-17-8-5-4-6-9(18-2)10(8)16-11(17)12(13,14)15/h4-6H,3,7H2,1-2H3
InChIKeyJSCNLNCRNOXFLI-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.47
Rot. Bonds3

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

4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole (PubChem CID 18316637) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole
PubChem CID18316637
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole
SMILESCCCn1c(C(F)(F)F)nc2c(OC)cccc21
InChIInChI=1S/C12H13F3N2O/c1-3-7-17-8-5-4-6-9(18-2)10(8)16-11(17)12(13,14)15/h4-6H,3,7H2,1-2H3
InChIKeyJSCNLNCRNOXFLI-UHFFFAOYSA-N
XLogP3.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole (CID 18316637) is 4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole is CCCn1c(C(F)(F)F)nc2c(OC)cccc21.
What is the InChIKey of 4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is JSCNLNCRNOXFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-3-7-17-8-5-4-6-9(18-2)10(8)16-11(17)12(13,14)15/h4-6H,3,7H2,1-2H3.
What are the key properties of 4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole?
4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 258.24 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 18316637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).