N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide

C23H19F3N4O3 — CID 22040988

IUPACN-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Cc2ccc(OC(F)(F)F)cc2)n3C)ccn1
InChIInChI=1S/C23H19F3N4O3/c1-27-22(31)19-13-17(9-10-28-19)32-16-7-8-20-18(12-16)29-21(30(20)2)11-14-3-5-15(6-4-14)33-23(24,25)26/h3-10,12-13H,11H2,1-2H3,(H,27,31)
InChIKeyFCWIBQXTXJFPTB-UHFFFAOYSA-N
MW456.42 g/mol
LogP4.61
Rot. Bonds6

About N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide

N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide (PubChem CID 22040988) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide
PubChem CID22040988
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC NameN-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Cc2ccc(OC(F)(F)F)cc2)n3C)ccn1
InChIInChI=1S/C23H19F3N4O3/c1-27-22(31)19-13-17(9-10-28-19)32-16-7-8-20-18(12-16)29-21(30(20)2)11-14-3-5-15(6-4-14)33-23(24,25)26/h3-10,12-13H,11H2,1-2H3,(H,27,31)
InChIKeyFCWIBQXTXJFPTB-UHFFFAOYSA-N
XLogP4.61
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide (CID 22040988) is N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Cc2ccc(OC(F)(F)F)cc2)n3C)ccn1.
What is the InChIKey of N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The InChIKey is FCWIBQXTXJFPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-27-22(31)19-13-17(9-10-28-19)32-16-7-8-20-18(12-16)29-21(30(20)2)11-14-3-5-15(6-4-14)33-23(24,25)26/h3-10,12-13H,11H2,1-2H3,(H,27,31).
What are the key properties of N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide?
N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide has a molecular weight of 456.42 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 22040988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).