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

C24H22F3N5O2 — CID 22041094

IUPAC4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(F)(F)F)c2)n3C)ccn1
InChIInChI=1S/C24H22F3N5O2/c1-3-10-29-22(33)20-14-18(9-11-28-20)34-17-7-8-21-19(13-17)31-23(32(21)2)30-16-6-4-5-15(12-16)24(25,26)27/h4-9,11-14H,3,10H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyRCUSHOKEJMFLPX-UHFFFAOYSA-N
MW469.47 g/mol
LogP5.66
Rot. Bonds7

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

4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide (PubChem CID 22041094) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is 4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide
PubChem CID22041094
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC Name4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(F)(F)F)c2)n3C)ccn1
InChIInChI=1S/C24H22F3N5O2/c1-3-10-29-22(33)20-14-18(9-11-28-20)34-17-7-8-21-19(13-17)31-23(32(21)2)30-16-6-4-5-15(12-16)24(25,26)27/h4-9,11-14H,3,10H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyRCUSHOKEJMFLPX-UHFFFAOYSA-N
XLogP5.66
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.47
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide?
The IUPAC name of 4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide (CID 22041094) is 4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide?
The canonical SMILES for 4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide is CCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(F)(F)F)c2)n3C)ccn1.
What is the InChIKey of 4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide?
The InChIKey is RCUSHOKEJMFLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2/c1-3-10-29-22(33)20-14-18(9-11-28-20)34-17-7-8-21-19(13-17)31-23(32(21)2)30-16-6-4-5-15(12-16)24(25,26)27/h4-9,11-14H,3,10H2,1-2H3,(H,29,33)(H,30,31).
What are the key properties of 4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide?
4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide has a molecular weight of 469.47 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 22041094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).