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

C22H18F3N5O2 — CID 22040941

IUPACN-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(F)(F)F)c2)n3C)ccn1
InChIInChI=1S/C22H18F3N5O2/c1-26-20(31)18-12-16(8-9-27-18)32-15-6-7-19-17(11-15)29-21(30(19)2)28-14-5-3-4-13(10-14)22(23,24)25/h3-12H,1-2H3,(H,26,31)(H,28,29)
InChIKeyNIYVAWAYJCPRAH-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.88
Rot. Bonds5

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

N-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide (PubChem CID 22040941) has the molecular formula C22H18F3N5O2 and a molecular weight of 441.41 g/mol. Its IUPAC name is N-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
PubChem CID22040941
Molecular FormulaC22H18F3N5O2
Molecular Weight441.41 g/mol
Exact Mass441.14
IUPAC NameN-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(F)(F)F)c2)n3C)ccn1
InChIInChI=1S/C22H18F3N5O2/c1-26-20(31)18-12-16(8-9-27-18)32-15-6-7-19-17(11-15)29-21(30(19)2)28-14-5-3-4-13(10-14)22(23,24)25/h3-12H,1-2H3,(H,26,31)(H,28,29)
InChIKeyNIYVAWAYJCPRAH-UHFFFAOYSA-N
XLogP4.88
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide (CID 22040941) is N-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(F)(F)F)c2)n3C)ccn1.
What is the InChIKey of N-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The InChIKey is NIYVAWAYJCPRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c1-26-20(31)18-12-16(8-9-27-18)32-15-6-7-19-17(11-15)29-21(30(19)2)28-14-5-3-4-13(10-14)22(23,24)25/h3-12H,1-2H3,(H,26,31)(H,28,29).
What are the key properties of N-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
N-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide has a molecular weight of 441.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 22040941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).