N-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide

C23H20F3N5O2 — CID 22040456

IUPACN-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(F)(F)F)c2)n3C)ccn1
InChIInChI=1S/C23H20F3N5O2/c1-3-27-21(32)19-13-17(9-10-28-19)33-16-7-8-20-18(12-16)30-22(31(20)2)29-15-6-4-5-14(11-15)23(24,25)26/h4-13H,3H2,1-2H3,(H,27,32)(H,29,30)
InChIKeyICNPRFRHZRNWGP-UHFFFAOYSA-N
MW455.44 g/mol
LogP5.27
Rot. Bonds6

About N-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide

N-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide (PubChem CID 22040456) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is N-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
PubChem CID22040456
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC NameN-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(F)(F)F)c2)n3C)ccn1
InChIInChI=1S/C23H20F3N5O2/c1-3-27-21(32)19-13-17(9-10-28-19)33-16-7-8-20-18(12-16)30-22(31(20)2)29-15-6-4-5-14(11-15)23(24,25)26/h4-13H,3H2,1-2H3,(H,27,32)(H,29,30)
InChIKeyICNPRFRHZRNWGP-UHFFFAOYSA-N
XLogP5.27
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.44
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide (CID 22040456) is N-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide is CCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(F)(F)F)c2)n3C)ccn1.
What is the InChIKey of N-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The InChIKey is ICNPRFRHZRNWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-3-27-21(32)19-13-17(9-10-28-19)33-16-7-8-20-18(12-16)30-22(31(20)2)29-15-6-4-5-14(11-15)23(24,25)26/h4-13H,3H2,1-2H3,(H,27,32)(H,29,30).
What are the key properties of N-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
N-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 22040456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).