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

C24H22F3N5O3 — CID 21037331

IUPACN-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(F)(F)F)c2)n3C)ccn1
InChIInChI=1S/C24H22F3N5O3/c1-32-21-7-6-17(35-18-8-9-28-20(14-18)22(33)29-10-11-34-2)13-19(21)31-23(32)30-16-5-3-4-15(12-16)24(25,26)27/h3-9,12-14H,10-11H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyOKJXWIFTBXCLRA-UHFFFAOYSA-N
MW485.47 g/mol
LogP4.90
Rot. Bonds8

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

N-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide (PubChem CID 21037331) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
PubChem CID21037331
Molecular FormulaC24H22F3N5O3
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC NameN-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(F)(F)F)c2)n3C)ccn1
InChIInChI=1S/C24H22F3N5O3/c1-32-21-7-6-17(35-18-8-9-28-20(14-18)22(33)29-10-11-34-2)13-19(21)31-23(32)30-16-5-3-4-15(12-16)24(25,26)27/h3-9,12-14H,10-11H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyOKJXWIFTBXCLRA-UHFFFAOYSA-N
XLogP4.90
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide (CID 21037331) is N-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide is COCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(F)(F)F)c2)n3C)ccn1.
What is the InChIKey of N-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The InChIKey is OKJXWIFTBXCLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3/c1-32-21-7-6-17(35-18-8-9-28-20(14-18)22(33)29-10-11-34-2)13-19(21)31-23(32)30-16-5-3-4-15(12-16)24(25,26)27/h3-9,12-14H,10-11H2,1-2H3,(H,29,33)(H,30,31).
What are the key properties of N-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
N-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide has a molecular weight of 485.47 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 21037331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).