2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide

C22H17F3N4O3 — CID 24849939

IUPAC2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccccc2OC)nc1
InChIInChI=1S/C22H17F3N4O3/c1-31-14-8-9-17-16(11-14)27-21(22(23,24)25)29(17)13-7-10-19(26-12-13)28-20(30)15-5-3-4-6-18(15)32-2/h3-12H,1-2H3,(H,26,28,30)
InChIKeyWIKNRPPMAFRAKM-UHFFFAOYSA-N
MW442.40 g/mol
LogP4.71
Rot. Bonds5

About 2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide

2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide (PubChem CID 24849939) has the molecular formula C22H17F3N4O3 and a molecular weight of 442.40 g/mol. Its IUPAC name is 2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
PubChem CID24849939
Molecular FormulaC22H17F3N4O3
Molecular Weight442.40 g/mol
Exact Mass442.13
IUPAC Name2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccccc2OC)nc1
InChIInChI=1S/C22H17F3N4O3/c1-31-14-8-9-17-16(11-14)27-21(22(23,24)25)29(17)13-7-10-19(26-12-13)28-20(30)15-5-3-4-6-18(15)32-2/h3-12H,1-2H3,(H,26,28,30)
InChIKeyWIKNRPPMAFRAKM-UHFFFAOYSA-N
XLogP4.71
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide (CID 24849939) is 2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccccc2OC)nc1.
What is the InChIKey of 2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The InChIKey is WIKNRPPMAFRAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3/c1-31-14-8-9-17-16(11-14)27-21(22(23,24)25)29(17)13-7-10-19(26-12-13)28-20(30)15-5-3-4-6-18(15)32-2/h3-12H,1-2H3,(H,26,28,30).
What are the key properties of 2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide has a molecular weight of 442.40 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 24849939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).